Molecule:100526: Difference between revisions

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molecule
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(auto-generated)
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|moleculeKey=NNENGKYNKIWEEY-UHFFFAOYSA-N
|moleculeKey=NNENGKYNKIWEEY-UHFFFAOYSA-N
|molOrRxn=
|molOrRxn=
  -INDIGO-10172211232D
|smiles=
 
|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 4.72465 -5.54385 0.0 0
M  V30 2 C 6.4332 -5.52067 0.0 0
M  V30 3 C 5.58666 -5.01952 0.0 0
M  V30 4 C 6.47478 -6.45404 0.0 0
M  V30 5 C 4.76711 -6.56367 0.0 0
M  V30 6 C 5.67618 -7.0228 0.0 0
M  V30 7 N 7.35659 -5.12504 0.0 0
M  V30 8 C 7.99722 -5.90863 0.0 0
M  V30 9 N 7.42779 -6.75958 0.0 0
M  V30 10 C 7.62163 -4.10793 0.0 0
M  V30 11 C 7.75052 -7.6695 0.0 0
M  V30 12 C 9.0283 -5.82857 0.0 0
M  V30 13 C 10.4305 -4.81529 0.0 0
M  V30 14 C 9.43716 -4.91806 0.0 0
M  V30 15 C 11.0156 -5.62 0.0 0
M  V30 16 C 9.61926 -6.64174 0.0 0
M  V30 17 C 10.6123 -6.53557 0.0 0
M  V30 18 O 9.23422 -7.52685 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 3 1
M  V30 2 2 4 2
M  V30 3 1 1 5
M  V30 4 1 2 3
M  V30 5 2 5 6
M  V30 6 1 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=C1C=CC2N(C)C(C3C(O)=CC=CC=3)N(C)C=2C=1
|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

Revision as of 10:52, 3 May 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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