2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile

C15H11ClN4O — CID 107622292

IUPAC2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile
SMILESCOc1cc(-n2c(N)nc3c(C#N)cccc32)ccc1Cl
InChIInChI=1S/C15H11ClN4O/c1-21-13-7-10(5-6-11(13)16)20-12-4-2-3-9(8-17)14(12)19-15(20)18/h2-7H,1H3,(H2,18,19)
InChIKeyQGRYQCHFYDKESO-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.14
Rot. Bonds2

About 2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile

2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile (PubChem CID 107622292) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile
PubChem CID107622292
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile
SMILESCOc1cc(-n2c(N)nc3c(C#N)cccc32)ccc1Cl
InChIInChI=1S/C15H11ClN4O/c1-21-13-7-10(5-6-11(13)16)20-12-4-2-3-9(8-17)14(12)19-15(20)18/h2-7H,1H3,(H2,18,19)
InChIKeyQGRYQCHFYDKESO-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

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Related Compounds

2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile
CID 104718691
4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 104836895
2-amino-1-(3-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
CID 104718938
2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile
CID 104719050
2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile
CID 107791599
1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine
CID 82859398
6-(4-chloro-3-methoxyphenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 107622319
2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile
CID 104718715
2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile
CID 104718630
2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714818
1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60790457
2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile
CID 104718729

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile (CID 107622292) is 2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile is COc1cc(-n2c(N)nc3c(C#N)cccc32)ccc1Cl.
What is the InChIKey of 2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile?
The InChIKey is QGRYQCHFYDKESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c1-21-13-7-10(5-6-11(13)16)20-12-4-2-3-9(8-17)14(12)19-15(20)18/h2-7H,1H3,(H2,18,19).
What are the key properties of 2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile?
2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-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-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 107622292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).