2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile

C15H8ClN5 — CID 107809125

IUPAC2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc(-n2c(N)nc3ccc(C#N)cc32)c(Cl)c1
InChIInChI=1S/C15H8ClN5/c16-11-5-9(7-17)2-4-13(11)21-14-6-10(8-18)1-3-12(14)20-15(21)19/h1-6H,(H2,19,20)
InChIKeyGXQJKVFAZVEGRL-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.00
Rot. Bonds1

About 2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile

2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile (PubChem CID 107809125) has the molecular formula C15H8ClN5 and a molecular weight of 293.72 g/mol. Its IUPAC name is 2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile
PubChem CID107809125
Molecular FormulaC15H8ClN5
Molecular Weight293.72 g/mol
Exact Mass293.05
IUPAC Name2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile
SMILESN#Cc1ccc(-n2c(N)nc3ccc(C#N)cc32)c(Cl)c1
InChIInChI=1S/C15H8ClN5/c16-11-5-9(7-17)2-4-13(11)21-14-6-10(8-18)1-3-12(14)20-15(21)19/h1-6H,(H2,19,20)
InChIKeyGXQJKVFAZVEGRL-UHFFFAOYSA-N
XLogP3.00
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-(2-chloro-4-cyanophenyl)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

4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile
CID 107809094
4-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-3-chlorobenzonitrile
CID 107809092
2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile
CID 104715125
2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714757
2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714818
2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714937
2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile
CID 104714844
2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714819
2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 104715108
2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile
CID 104714764
2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile
CID 118938390
4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile
CID 104849631

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile (CID 107809125) is 2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile is N#Cc1ccc(-n2c(N)nc3ccc(C#N)cc32)c(Cl)c1.
What is the InChIKey of 2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile?
The InChIKey is GXQJKVFAZVEGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN5/c16-11-5-9(7-17)2-4-13(11)21-14-6-10(8-18)1-3-12(14)20-15(21)19/h1-6H,(H2,19,20).
What are the key properties of 2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile?
2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile has a molecular weight of 293.72 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 107809125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).