2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile

C16H12N4O — CID 104719006

IUPAC2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(N)n2C1COc2ccccc21
InChIInChI=1S/C16H12N4O/c17-8-10-4-3-6-12-15(10)19-16(18)20(12)13-9-21-14-7-2-1-5-11(13)14/h1-7,13H,9H2,(H2,18,19)
InChIKeyWMENCWKJCMPHTB-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.47
Rot. Bonds1

About 2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile

2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile (PubChem CID 104719006) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile
PubChem CID104719006
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile
SMILESN#Cc1cccc2c1nc(N)n2C1COc2ccccc21
InChIInChI=1S/C16H12N4O/c17-8-10-4-3-6-12-15(10)19-16(18)20(12)13-9-21-14-7-2-1-5-11(13)14/h1-7,13H,9H2,(H2,18,19)
InChIKeyWMENCWKJCMPHTB-UHFFFAOYSA-N
XLogP2.47
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)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-methylcyclopropyl)benzimidazole-4-carbonitrile
CID 104718943
1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine
CID 62366268
2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile
CID 104718653
2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile
CID 104718816
2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile
CID 104718799
2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile
CID 104719031
2-amino-1-(oxolan-3-ylmethyl)benzimidazole-4-carbonitrile
CID 113445020
2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile
CID 104718715
2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile
CID 104718701
2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile
CID 106008009
2-(1-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile
CID 104719632
2-(2-chloroethyl)-1-cyclobutylbenzimidazole-4-carbonitrile
CID 113445072

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile (CID 104719006) is 2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile is N#Cc1cccc2c1nc(N)n2C1COc2ccccc21.
What is the InChIKey of 2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile?
The InChIKey is WMENCWKJCMPHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-8-10-4-3-6-12-15(10)19-16(18)20(12)13-9-21-14-7-2-1-5-11(13)14/h1-7,13H,9H2,(H2,18,19).
What are the key properties of 2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile?
2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104719006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).