2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile

C17H16N4 — CID 104719063

IUPAC2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile
SMILESCc1ccccc1CCn1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C17H16N4/c1-12-5-2-3-6-13(12)9-10-21-15-8-4-7-14(11-18)16(15)20-17(21)19/h2-8H,9-10H2,1H3,(H2,19,20)
InChIKeyACQZQFHRHAQGRB-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.04
Rot. Bonds3

About 2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile

2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile (PubChem CID 104719063) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile
PubChem CID104719063
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile
SMILESCc1ccccc1CCn1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C17H16N4/c1-12-5-2-3-6-13(12)9-10-21-15-8-4-7-14(11-18)16(15)20-17(21)19/h2-8H,9-10H2,1H3,(H2,19,20)
InChIKeyACQZQFHRHAQGRB-UHFFFAOYSA-N
XLogP3.04
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-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

2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile
CID 113444999
4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 104837197
2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile
CID 104715124
2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile
CID 104718630
ethyl 3-(2-amino-4-cyanobenzimidazol-1-yl)propanoate
CID 104718923
2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile
CID 104718973
2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile
CID 104718715
2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile
CID 102906796
2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile
CID 106008009
2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile
CID 106375028
2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile
CID 104718701
2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile
CID 104718989

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile (CID 104719063) is 2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile is Cc1ccccc1CCn1c(N)nc2c(C#N)cccc21.
What is the InChIKey of 2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile?
The InChIKey is ACQZQFHRHAQGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-12-5-2-3-6-13(12)9-10-21-15-8-4-7-14(11-18)16(15)20-17(21)19/h2-8H,9-10H2,1H3,(H2,19,20).
What are the key properties of 2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile?
2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile is sourced from PubChem (CID 104719063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).