3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide

C17H18N4O — CID 43045567

IUPAC3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2[nH]1)c1ccccn1
InChIInChI=1S/C17H18N4O/c1-12(13-6-4-5-11-18-13)19-17(22)10-9-16-20-14-7-2-3-8-15(14)21-16/h2-8,11-12H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyGMAFWBJWKOAQJI-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.77
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide

3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide (PubChem CID 43045567) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide
PubChem CID43045567
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2[nH]1)c1ccccn1
InChIInChI=1S/C17H18N4O/c1-12(13-6-4-5-11-18-13)19-17(22)10-9-16-20-14-7-2-3-8-15(14)21-16/h2-8,11-12H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyGMAFWBJWKOAQJI-UHFFFAOYSA-N
XLogP2.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide 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-(1H-benzimidazol-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725840
3-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)propanamide
CID 130244822
(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoic acid
CID 61136264
3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
CID 46974251
2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43353591
methyl (2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-phenylacetate
CID 95065188
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711282
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide
CID 130245296

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide (CID 43045567) is 3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide is CC(NC(=O)CCc1nc2ccccc2[nH]1)c1ccccn1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide?
The InChIKey is GMAFWBJWKOAQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12(13-6-4-5-11-18-13)19-17(22)10-9-16-20-14-7-2-3-8-15(14)21-16/h2-8,11-12H,9-10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide has a molecular weight of 294.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 43045567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).