7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile

C20H13N3O — CID 11266921

IUPAC7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)cc2)c2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C20H13N3O/c21-12-14-10-18(15-6-8-17(24)9-7-15)20-19(11-14)22-13-23(20)16-4-2-1-3-5-16/h1-11,13,24H
InChIKeyAWQRYYRZYDBETR-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.27
Rot. Bonds2

About 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile

7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile (PubChem CID 11266921) has the molecular formula C20H13N3O and a molecular weight of 311.34 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile
PubChem CID11266921
Molecular FormulaC20H13N3O
Molecular Weight311.34 g/mol
Exact Mass311.11
IUPAC Name7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)cc2)c2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C20H13N3O/c21-12-14-10-18(15-6-8-17(24)9-7-15)20-19(11-14)22-13-23(20)16-4-2-1-3-5-16/h1-11,13,24H
InChIKeyAWQRYYRZYDBETR-UHFFFAOYSA-N
XLogP4.27
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3'-(5-(1-Hydroxy-1-methylethyl)benzoimidazol-1-yl)biphenyl-2-carbonitrile
CID 16747643
5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole
CID 5329338
(8R,9S,13S,14S)-17-(benzimidazol-1-yl)-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-ol
CID 66850314
Phenol, 4-((2-(4-hydroxyphenyl)-1H-benzimidazol-1-yl)methyl)-
CID 373076
5-Substituted 1-Phenylbenzimidazole 33
CID 5328523
(2E)-3-(3-hydroxyphenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
CID 5710557
4-[[2-[3-(Diethylaminomethyl)-2-hydroxy-5-methylanilino]benzimidazol-1-yl]methyl]benzonitrile
CID 164620406
2-Hydroxy-5-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 168282182
(2E)-3-(4-hydroxyphenyl)-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
CID 135412021
2-[4-(Aminomethyl)-3-methylbenzimidazol-5-yl]phenol
CID 11507111
2-{(E)-[(1-ethyl-1H-benzimidazol-2-yl)imino]methyl}phenol
CID 135641157
3-Ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carbonitrile
CID 118516013

Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile?
The IUPAC name of 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile (CID 11266921) is 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile?
The canonical SMILES for 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile is N#Cc1cc(-c2ccc(O)cc2)c2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile?
The InChIKey is AWQRYYRZYDBETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O/c21-12-14-10-18(15-6-8-17(24)9-7-15)20-19(11-14)22-13-23(20)16-4-2-1-3-5-16/h1-11,13,24H.
What are the key properties of 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile?
7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile has a molecular weight of 311.34 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxyphenyl)-1-phenylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 11266921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).