3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide

C20H24N4O2 — CID 24645457

IUPAC3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NC(C)c2ccccn2)c2ccccc21
InChIInChI=1S/C20H24N4O2/c1-3-13-23-17-9-4-5-10-18(17)24(20(23)26)14-11-19(25)22-15(2)16-8-6-7-12-21-16/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,22,25)
InChIKeyVTSQNZSQBZQIJF-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.88
Rot. Bonds7

About 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide

3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide (PubChem CID 24645457) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
PubChem CID24645457
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)NC(C)c2ccccn2)c2ccccc21
InChIInChI=1S/C20H24N4O2/c1-3-13-23-17-9-4-5-10-18(17)24(20(23)26)14-11-19(25)22-15(2)16-8-6-7-12-21-16/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,22,25)
InChIKeyVTSQNZSQBZQIJF-UHFFFAOYSA-N
XLogP2.88
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 51648188
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 51648189
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 35943267
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
N-[1-(3-chlorophenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134031322
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18116505
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 91951480
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 18107170
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134031392
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134056639

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide (CID 24645457) is 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide is CCCn1c(=O)n(CCC(=O)NC(C)c2ccccn2)c2ccccc21.
What is the InChIKey of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide?
The InChIKey is VTSQNZSQBZQIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-13-23-17-9-4-5-10-18(17)24(20(23)26)14-11-19(25)22-15(2)16-8-6-7-12-21-16/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,22,25).
What are the key properties of 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide?
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide has a molecular weight of 352.44 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 24645457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).