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

C15H11ClN4O — CID 104714818

IUPAC2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile
SMILESCOc1ccc(-n2c(N)nc3ccc(C#N)cc32)cc1Cl
InChIInChI=1S/C15H11ClN4O/c1-21-14-5-3-10(7-11(14)16)20-13-6-9(8-17)2-4-12(13)19-15(20)18/h2-7H,1H3,(H2,18,19)
InChIKeyRITWQVBCIQLCNQ-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.14
Rot. Bonds2

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

2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile (PubChem CID 104714818) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile
PubChem CID104714818
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile
SMILESCOc1ccc(-n2c(N)nc3ccc(C#N)cc32)cc1Cl
InChIInChI=1S/C15H11ClN4O/c1-21-14-5-3-10(7-11(14)16)20-13-6-9(8-17)2-4-12(13)19-15(20)18/h2-7H,1H3,(H2,18,19)
InChIKeyRITWQVBCIQLCNQ-UHFFFAOYSA-N
XLogP3.14
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 65346975
2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714790
2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714757
2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile
CID 107809125
2-amino-3-(4-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714758
1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridin-2-amine
CID 79296335
2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714937
4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 104836895
2-amino-3-(3-iodophenyl)benzimidazole-5-carbonitrile
CID 104714764
2-amino-3-[4-(cyanomethyl)phenyl]benzimidazole-5-carbonitrile
CID 104714998
4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile
CID 104849631
1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077160

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile (CID 104714818) is 2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile is COc1ccc(-n2c(N)nc3ccc(C#N)cc32)cc1Cl.
What is the InChIKey of 2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile?
The InChIKey is RITWQVBCIQLCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c1-21-14-5-3-10(7-11(14)16)20-13-6-9(8-17)2-4-12(13)19-15(20)18/h2-7H,1H3,(H2,18,19).
What are the key properties of 2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile?
2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile has a molecular weight of 298.73 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 104714818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).