Molecule:100526: Difference between revisions

InChI	1S/C15H16N2O/c1-16-12-8-4-5-9-13(12)17(2)15(16)11-7-3-6-10-14(11)18/h3-10,15,18H,1-2H3
InChI-Key	NNENGKYNKIWEEY-UHFFFAOYSA-N
SMILES	C1=CC=C2N(C)C(C3C(O)=CC=CC=3)N(C)C2=C1

Properties
CID	789497
CAS	3652-93-5
IUPAC-Name	2-(1,3-dimethyl-2h-benzimidazol-2-yl)phenol
Abbreviation	BI(OH)H
Trivialname	2-(13-dimethyl-2h-benzimidazol-2-yl)phenol
Exact mass	240.126263138
Molecular formula	C15H16N2O
LogP	n/a
Has vendors	true
Molecular role	n/a
Synonyms	2-(13-dimethyl-2h-benzimidazol-2-yl)phenol,2-(13-dimethyl-23-dihydro-1h-benzimidazol-2-yl)phenol,2-(13-dimethyl-23-dihydro-1h-benzodimidazol-2-yl)phenol,oprea1_393986,oprea1_806067,schembl2500446,zinc289247,stl353311,akos000542649,ab00076081-01

Revision as of 13:24, 26 November 2023

‎

BI(OH)H

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

Molecule is used on following pages

topic

publication

Photocatalytic CO2 Reduction under Visible-Light Irradiation by Ruthenium CNC Pincer Complexes

investigation

Rhenium(I) trinuclear rings as highly efficient redox photosensitizers for photocatalytic CO2 reduction/Table 2
Photocatalytic CO2 Reduction under Visible-Light Irradiation by Ruthenium CNC Pincer Complexes/Conditions optimizations for photocatalytic reduction of CO2

other

CO2 conversion to CO

@@ Line 11: / Line 11: @@
 |moleculeKey=NNENGKYNKIWEEY-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-10172211232D
+   -INDIGO-10172211072D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 17: / Line 17: @@
 M  V30 COUNTS 18 20 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 C 4.72465 -5.54385 0.0 0
+M  V30 1 C 3.75809 -4.54795 0.0 0
-M  V30 2 C 6.4332 -5.52067 0.0 0
+M  V30 2 C 5.48758 -4.54746 0.0 0
-M  V30 3 C 5.58666 -5.01952 0.0 0
+M  V30 3 C 4.62447 -4.04807 0.0 0
-M  V30 4 C 6.47478 -6.45404 0.0 0
+M  V30 4 C 5.48758 -5.54794 0.0 0
-M  V30 5 C 4.76711 -6.56367 0.0 0
+M  V30 5 C 3.75809 -5.55242 0.0 0
-M  V30 6 C 5.67618 -7.0228 0.0 0
+M  V30 6 C 4.62666 -6.0472 0.0 0
-M  V30 7 N 7.35659 -5.12504 0.0 0
+M  V30 7 N 6.43912 -4.23824 0.0 0
-M  V30 8 C 7.99722 -5.90863 0.0 0
+M  V30 8 C 7.0272 -5.04763 0.0 0
-M  V30 9 N 7.42779 -6.75958 0.0 0
+M  V30 9 N 6.43911 -5.85706 0.0 0
-M  V30 10 C 7.62163 -4.10793 0.0 0
+M  V30 10 C 6.69781 -3.27276 0.0 0
-M  V30 11 C 7.75052 -7.6695 0.0 0
+M  V30 11 C 6.57644 -6.85266 0.0 0
-M  V30 12 C 9.0283 -5.82857 0.0 0
+M  V30 12 C 8.02673 -5.04763 0.0 0
-M  V30 13 C 10.4305 -4.81529 0.0 0
+M  V30 13 C 9.52369 -4.18146 0.0 0
-M  V30 14 C 9.43716 -4.91806 0.0 0
+M  V30 14 C 8.52653 -4.1812 0.0 0
-M  V30 15 C 11.0156 -5.62 0.0 0
+M  V30 15 C 10.0245 -5.04756 0.0 0
-M  V30 16 C 9.61926 -6.64174 0.0 0
+M  V30 16 C 8.52955 -5.91719 0.0 0
-M  V30 17 C 10.6123 -6.53557 0.0 0
+M  V30 17 C 9.52914 -5.91073 0.0 0
-M  V30 18 O 9.23422 -7.52685 0.0 0
+M  V30 18 O 8.27086 -6.88267 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 2 3 1
+M  V30 1 1 3 1
-M  V30 2 2 4 2
+M  V30 2 1 4 2
-M  V30 3 1 1 5
+M  V30 3 2 1 5
-M  V30 4 1 2 3
+M  V30 4 2 2 3
-M  V30 5 2 5 6
+M  V30 5 1 5 6
-M  V30 6 1 6 4
+M  V30 6 2 6 4
 M  V30 7 1 2 7
 M  V30 8 1 7 8
@@ Line 60: / Line 60: @@
 M  V30 END CTAB
 M  END
-|smiles=C1C=CC2N(C)C(C3C(O)=CC=CC=3)N(C)C=2C=1
+|smiles=C1=CC=C2N(C)C(C3C(O)=CC=CC=3)N(C)C2=C1
 |inchi=1S/C15H16N2O/c1-16-12-8-4-5-9-13(12)17(2)15(16)11-7-3-6-10-14(11)18/h3-10,15,18H,1-2H3
 |inchikey=NNENGKYNKIWEEY-UHFFFAOYSA-N

Molecule:100526: Difference between revisions

Revision as of 13:24, 26 November 2023

Molecule is used on following pages

Current site

Topics