2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile

C14H7Cl2N3 — CID 79004183

IUPAC2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cc(Cl)ccc3Cl)[nH]c2c1
InChIInChI=1S/C14H7Cl2N3/c15-9-2-3-11(16)10(6-9)14-18-12-4-1-8(7-17)5-13(12)19-14/h1-6H,(H,18,19)
InChIKeyFYWVQGSIFBGPNS-UHFFFAOYSA-N
MW288.14 g/mol
LogP4.41
Rot. Bonds1

About 2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile

2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile (PubChem CID 79004183) has the molecular formula C14H7Cl2N3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
PubChem CID79004183
Molecular FormulaC14H7Cl2N3
Molecular Weight288.14 g/mol
Exact Mass287.00
IUPAC Name2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cc(Cl)ccc3Cl)[nH]c2c1
InChIInChI=1S/C14H7Cl2N3/c15-9-2-3-11(16)10(6-9)14-18-12-4-1-8(7-17)5-13(12)19-14/h1-6H,(H,18,19)
InChIKeyFYWVQGSIFBGPNS-UHFFFAOYSA-N
XLogP4.41
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dichlorophenyl)-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-(5-bromo-2-chlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004257
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908144
2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908153
[2-(2,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004389
2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004256
2-(2,5-dichlorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185574
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole
CID 63399348
2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004638
2-(2,5-dichlorophenyl)-1H-benzimidazole-4-carbonitrile
CID 104720410
2-(2-bromo-5-fluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004192

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile (CID 79004183) is 2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3cc(Cl)ccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is FYWVQGSIFBGPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2N3/c15-9-2-3-11(16)10(6-9)14-18-12-4-1-8(7-17)5-13(12)19-14/h1-6H,(H,18,19).
What are the key properties of 2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile?
2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 288.14 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 79004183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).