3-(benzimidazol-1-yl)-N-benzylpropanamide

C17H17N3O — CID 4972644

IUPAC3-(benzimidazol-1-yl)-N-benzylpropanamide
SMILESO=C(CCn1cnc2ccccc21)NCc1ccccc1
InChIInChI=1S/C17H17N3O/c21-17(18-12-14-6-2-1-3-7-14)10-11-20-13-19-15-8-4-5-9-16(15)20/h1-9,13H,10-12H2,(H,18,21)
InChIKeyPEBYEAYMCYFHEV-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.74
Rot. Bonds5

About 3-(benzimidazol-1-yl)-N-benzylpropanamide

3-(benzimidazol-1-yl)-N-benzylpropanamide (PubChem CID 4972644) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-benzylpropanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-benzylpropanamide
PubChem CID4972644
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(benzimidazol-1-yl)-N-benzylpropanamide
SMILESO=C(CCn1cnc2ccccc21)NCc1ccccc1
InChIInChI=1S/C17H17N3O/c21-17(18-12-14-6-2-1-3-7-14)10-11-20-13-19-15-8-4-5-9-16(15)20/h1-9,13H,10-12H2,(H,18,21)
InChIKeyPEBYEAYMCYFHEV-UHFFFAOYSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(benzimidazol-1-yl)-N-benzylpropanamide 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

3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 34166297
3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide
CID 131919105
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanoic acid
CID 66167640
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 36842954
3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 61004748
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide
CID 107362610
3-(benzimidazol-1-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]propanamide
CID 17484178
2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid
CID 63914686
3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111445290

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-benzylpropanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-benzylpropanamide (CID 4972644) is 3-(benzimidazol-1-yl)-N-benzylpropanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-benzylpropanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-benzylpropanamide is O=C(CCn1cnc2ccccc21)NCc1ccccc1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-benzylpropanamide?
The InChIKey is PEBYEAYMCYFHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-17(18-12-14-6-2-1-3-7-14)10-11-20-13-19-15-8-4-5-9-16(15)20/h1-9,13H,10-12H2,(H,18,21).
What are the key properties of 3-(benzimidazol-1-yl)-N-benzylpropanamide?
3-(benzimidazol-1-yl)-N-benzylpropanamide has a molecular weight of 279.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-benzylpropanamide is sourced from PubChem (CID 4972644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).