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

C15H12N4 — CID 104718715

IUPAC2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile
SMILESCc1ccccc1-n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C15H12N4/c1-10-5-2-3-7-12(10)19-13-8-4-6-11(9-16)14(13)18-15(19)17/h2-8H,1H3,(H2,17,18)
InChIKeyKVLBSHJUYYTJGV-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.79
Rot. Bonds1

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

2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile (PubChem CID 104718715) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile
PubChem CID104718715
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile
SMILESCc1ccccc1-n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C15H12N4/c1-10-5-2-3-7-12(10)19-13-8-4-6-11(9-16)14(13)18-15(19)17/h2-8H,1H3,(H2,17,18)
InChIKeyKVLBSHJUYYTJGV-UHFFFAOYSA-N
XLogP2.79
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile
CID 104718701
2-amino-1-(5-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
CID 104718706
2-amino-1-(2-chloro-6-methylphenyl)benzimidazole-4-carbonitrile
CID 104719050
2-amino-1-(2-cyano-3-fluorophenyl)benzimidazole-4-carbonitrile
CID 104718770
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-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719103
2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile
CID 104719063
2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile
CID 107791660
2-amino-1-(4-bromo-2,3-dichlorophenyl)benzimidazole-4-carbonitrile
CID 107791599
2-amino-1-(3-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
CID 104718938
2-amino-1-(3,4-difluorophenyl)benzimidazole-4-carbonitrile
CID 104718691

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile (CID 104718715) is 2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile is Cc1ccccc1-n1c(N)nc2c(C#N)cccc21.
What is the InChIKey of 2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile?
The InChIKey is KVLBSHJUYYTJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-10-5-2-3-7-12(10)19-13-8-4-6-11(9-16)14(13)18-15(19)17/h2-8H,1H3,(H2,17,18).
What are the key properties of 2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile?
2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 2.79, 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-methylphenyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104718715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).