Molecule:100526: Difference between revisions

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molecule
(auto-generated)
(auto-generated)
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|moleculeKey=NNENGKYNKIWEEY-UHFFFAOYSA-N
|moleculeKey=NNENGKYNKIWEEY-UHFFFAOYSA-N
|molOrRxn=
|molOrRxn=
|smiles=
  -INDIGO-10172211072D
|inchi=
 
  0  0  0  0  0  0  0  0  0  0  0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 3.75809 -4.54795 0.0 0
M  V30 2 C 5.48758 -4.54746 0.0 0
M  V30 3 C 4.62447 -4.04807 0.0 0
M  V30 4 C 5.48758 -5.54794 0.0 0
M  V30 5 C 3.75809 -5.55242 0.0 0
M  V30 6 C 4.62666 -6.0472 0.0 0
M  V30 7 N 6.43912 -4.23824 0.0 0
M  V30 8 C 7.0272 -5.04763 0.0 0
M  V30 9 N 6.43911 -5.85706 0.0 0
M  V30 10 C 6.69781 -3.27276 0.0 0
M  V30 11 C 6.57644 -6.85266 0.0 0
M  V30 12 C 8.02673 -5.04763 0.0 0
M  V30 13 C 9.52369 -4.18146 0.0 0
M  V30 14 C 8.52653 -4.1812 0.0 0
M  V30 15 C 10.0245 -5.04756 0.0 0
M  V30 16 C 8.52955 -5.91719 0.0 0
M  V30 17 C 9.52914 -5.91073 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 1 3 1
M  V30 2 1 4 2
M  V30 3 2 1 5
M  V30 4 2 2 3
M  V30 5 1 5 6
M  V30 6 2 6 4
M  V30 7 1 2 7
M  V30 8 1 7 8
M  V30 9 1 8 9
M  V30 10 1 9 4
M  V30 11 1 7 10
M  V30 12 1 9 11
M  V30 13 1 8 12
M  V30 14 2 14 12
M  V30 15 2 15 13
M  V30 16 1 12 16
M  V30 17 1 13 14
M  V30 18 2 16 17
M  V30 19 1 17 15
M  V30 20 1 16 18
M  V30 END BOND
M  V30 END CTAB
M  END
|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
|inchikey=NNENGKYNKIWEEY-UHFFFAOYSA-N
|width=300px
|width=300px
|height=NNENGKYNKIWEEY-UHFFFAOYSA-N
|height=200px
|float=none
|float=none
|logP=
|logP=
|parent=
|parent=
}}
}}

Revision as of 10:44, 7 July 2023

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

BI(OH)H


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