N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide

C19H20N4O2 — CID 60509786

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NC(C)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H20N4O2/c1-3-17(24)21-14-8-6-7-13(11-14)19(25)20-12(2)18-22-15-9-4-5-10-16(15)23-18/h4-12H,3H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyYARYBOJQEFNPNY-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.40
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide (PubChem CID 60509786) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide
PubChem CID60509786
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NC(C)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H20N4O2/c1-3-17(24)21-14-8-6-7-13(11-14)19(25)20-12(2)18-22-15-9-4-5-10-16(15)23-18/h4-12H,3H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyYARYBOJQEFNPNY-UHFFFAOYSA-N
XLogP3.40
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide 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

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 77082172
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55380927
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide
CID 60592481
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 75857074

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide (CID 60509786) is N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)NC(C)c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide?
The InChIKey is YARYBOJQEFNPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-17(24)21-14-8-6-7-13(11-14)19(25)20-12(2)18-22-15-9-4-5-10-16(15)23-18/h4-12H,3H2,1-2H3,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide has a molecular weight of 336.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide is sourced from PubChem (CID 60509786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).