3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide

C17H18N4O2 — CID 18107170

IUPAC3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide
SMILESCCn1c(=O)n(CCC(=O)Nc2ccccn2)c2ccccc21
InChIInChI=1S/C17H18N4O2/c1-2-20-13-7-3-4-8-14(13)21(17(20)23)12-10-16(22)19-15-9-5-6-11-18-15/h3-9,11H,2,10,12H2,1H3,(H,18,19,22)
InChIKeyZFLPMHWEDISMBC-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.25
Rot. Bonds5

About 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide (PubChem CID 18107170) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide
PubChem CID18107170
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide
SMILESCCn1c(=O)n(CCC(=O)Nc2ccccn2)c2ccccc21
InChIInChI=1S/C17H18N4O2/c1-2-20-13-7-3-4-8-14(13)21(17(20)23)12-10-16(22)19-15-9-5-6-11-18-15/h3-9,11H,2,10,12H2,1H3,(H,18,19,22)
InChIKeyZFLPMHWEDISMBC-UHFFFAOYSA-N
XLogP2.25
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylacetamide
CID 18142520
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 55907017
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 24554769
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17452434
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55642616
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
CID 55953573
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide
CID 84577763
N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 16574720
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 55732676
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645457
N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609703

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide (CID 18107170) is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide is CCn1c(=O)n(CCC(=O)Nc2ccccn2)c2ccccc21.
What is the InChIKey of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is ZFLPMHWEDISMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-20-13-7-3-4-8-14(13)21(17(20)23)12-10-16(22)19-15-9-5-6-11-18-15/h3-9,11H,2,10,12H2,1H3,(H,18,19,22).
What are the key properties of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide?
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 310.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 18107170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).