4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile

C18H18N4 — CID 82359745

IUPAC4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile
SMILESCCCNc1nc2ccccc2n1Cc1ccc(C#N)cc1
InChIInChI=1S/C18H18N4/c1-2-11-20-18-21-16-5-3-4-6-17(16)22(18)13-15-9-7-14(12-19)8-10-15/h3-10H,2,11,13H2,1H3,(H,20,21)
InChIKeyZDGXYJGJJVKMSC-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.78
Rot. Bonds5

About 4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile

4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile (PubChem CID 82359745) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile
PubChem CID82359745
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile
SMILESCCCNc1nc2ccccc2n1Cc1ccc(C#N)cc1
InChIInChI=1S/C18H18N4/c1-2-11-20-18-21-16-5-3-4-6-17(16)22(18)13-15-9-7-14(12-19)8-10-15/h3-10H,2,11,13H2,1H3,(H,20,21)
InChIKeyZDGXYJGJJVKMSC-UHFFFAOYSA-N
XLogP3.78
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile 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-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile
CID 82359718
1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
CID 82359547
4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile
CID 134083964
N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide
CID 35279688
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
1-(4-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]thiourea
CID 139841677
4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 39148178
3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile
CID 51295210
4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile
CID 39151464
N-(2-chloroethyl)-1-propylbenzimidazol-2-amine
CID 3066877
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468
2-[1-[(4-cyanophenyl)methyl]benzimidazol-2-yl]sulfanyl-2-methylpropanoic acid
CID 135354759

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile (CID 82359745) is 4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile is CCCNc1nc2ccccc2n1Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile?
The InChIKey is ZDGXYJGJJVKMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-2-11-20-18-21-16-5-3-4-6-17(16)22(18)13-15-9-7-14(12-19)8-10-15/h3-10H,2,11,13H2,1H3,(H,20,21).
What are the key properties of 4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile?
4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile has a molecular weight of 290.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 82359745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).