2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile

C20H13N3O — CID 11209127

IUPAC2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C20H13N3O/c21-13-14-6-11-18-19(12-14)23-20(22-18)15-7-9-17(10-8-15)24-16-4-2-1-3-5-16/h1-12H,(H,22,23)
InChIKeyDJHDCPGWYHIZLY-UHFFFAOYSA-N
MW311.34 g/mol
LogP4.89
Rot. Bonds3

About 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile

2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile (PubChem CID 11209127) has the molecular formula C20H13N3O and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile
PubChem CID11209127
Molecular FormulaC20H13N3O
Molecular Weight311.34 g/mol
Exact Mass311.11
IUPAC Name2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C20H13N3O/c21-13-14-6-11-18-19(12-14)23-20(22-18)15-7-9-17(10-8-15)24-16-4-2-1-3-5-16/h1-12H,(H,22,23)
InChIKeyDJHDCPGWYHIZLY-UHFFFAOYSA-N
XLogP4.89
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile
CID 75391013
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate
CID 67362236
6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile
CID 168555204
2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile
CID 69437638
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797
4-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 19921448
2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-3H-benzimidazole-5-carbonitrile
CID 46992207
2-(3-bromo-4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 81488542
2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile
CID 79004134
2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile
CID 70852236
2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile
CID 107356609

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile (CID 11209127) is 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is DJHDCPGWYHIZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O/c21-13-14-6-11-18-19(12-14)23-20(22-18)15-7-9-17(10-8-15)24-16-4-2-1-3-5-16/h1-12H,(H,22,23).
What are the key properties of 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile?
2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 311.34 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 11209127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).