2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile

C15H11ClN4 — CID 104719050

IUPAC2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile
SMILESCc1cccc(Cl)c1-n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C15H11ClN4/c1-9-4-2-6-11(16)14(9)20-12-7-3-5-10(8-17)13(12)19-15(20)18/h2-7H,1H3,(H2,18,19)
InChIKeyKHQYDAHOOJJPKG-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.44
Rot. Bonds1

About 2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile

2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile (PubChem CID 104719050) has the molecular formula C15H11ClN4 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile
PubChem CID104719050
Molecular FormulaC15H11ClN4
Molecular Weight282.73 g/mol
Exact Mass282.07
IUPAC Name2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile
SMILESCc1cccc(Cl)c1-n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C15H11ClN4/c1-9-4-2-6-11(16)14(9)20-12-7-3-5-10(8-17)13(12)19-15(20)18/h2-7H,1H3,(H2,18,19)
InChIKeyKHQYDAHOOJJPKG-UHFFFAOYSA-N
XLogP3.44
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile
CID 104718715
2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile
CID 104718701
2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile
CID 107791599
2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
CID 104718706
2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile
CID 107622292
2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
CID 107593043
2-amino-1-(2,3,4-trifluorophenyl)benzimidazole-4-carbonitrile
CID 104718729
2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile
CID 104719063
2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile
CID 104718691
2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719103
2-amino-1-(3-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
CID 104718938

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile (CID 104719050) is 2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile is Cc1cccc(Cl)c1-n1c(N)nc2c(C#N)cccc21.
What is the InChIKey of 2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile?
The InChIKey is KHQYDAHOOJJPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4/c1-9-4-2-6-11(16)14(9)20-12-7-3-5-10(8-17)13(12)19-15(20)18/h2-7H,1H3,(H2,18,19).
What are the key properties of 2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile?
2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile has a molecular weight of 282.73 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104719050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).