2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile

C16H14N4 — CID 104718701

IUPAC2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile
SMILESCc1cccc(-n2c(N)nc3c(C#N)cccc32)c1C
InChIInChI=1S/C16H14N4/c1-10-5-3-7-13(11(10)2)20-14-8-4-6-12(9-17)15(14)19-16(20)18/h3-8H,1-2H3,(H2,18,19)
InChIKeyTVEZJSTXWCSZIR-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.10
Rot. Bonds1

About 2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile

2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile (PubChem CID 104718701) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile
PubChem CID104718701
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile
SMILESCc1cccc(-n2c(N)nc3c(C#N)cccc32)c1C
InChIInChI=1S/C16H14N4/c1-10-5-3-7-13(11(10)2)20-14-8-4-6-12(9-17)15(14)19-16(20)18/h3-8H,1-2H3,(H2,18,19)
InChIKeyTVEZJSTXWCSZIR-UHFFFAOYSA-N
XLogP3.10
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile (CID 104718701) is 2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile is Cc1cccc(-n2c(N)nc3c(C#N)cccc32)c1C.
What is the InChIKey of 2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile?
The InChIKey is TVEZJSTXWCSZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-10-5-3-7-13(11(10)2)20-14-8-4-6-12(9-17)15(14)19-16(20)18/h3-8H,1-2H3,(H2,18,19).
What are the key properties of 2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile?
2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile has a molecular weight of 262.32 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104718701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).