3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide

C17H25N3O2 — CID 16573526

IUPAC3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
SMILESCCn1c(=O)n(CCC(=O)NCCC(C)C)c2ccccc21
InChIInChI=1S/C17H25N3O2/c1-4-19-14-7-5-6-8-15(14)20(17(19)22)12-10-16(21)18-11-9-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,18,21)
InChIKeyOSXAAMJFNYJZHX-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.38
Rot. Bonds7

About 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide (PubChem CID 16573526) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
PubChem CID16573526
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
SMILESCCn1c(=O)n(CCC(=O)NCCC(C)C)c2ccccc21
InChIInChI=1S/C17H25N3O2/c1-4-19-14-7-5-6-8-15(14)20(17(19)22)12-10-16(21)18-11-9-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,18,21)
InChIKeyOSXAAMJFNYJZHX-UHFFFAOYSA-N
XLogP2.38
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
CID 55953573
N-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
CID 50815586
N-[2-(2,6-dimethylphenoxy)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 55717025
N-(3-aminopropyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide;hydrochloride
CID 119406011
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-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 55694075
N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609703
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 18161890
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 18107170
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-phenoxyethyl)propanamide
CID 30859218
N-[cyclopropyl(phenyl)methyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 18131666

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide (CID 16573526) is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide is CCn1c(=O)n(CCC(=O)NCCC(C)C)c2ccccc21.
What is the InChIKey of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide?
The InChIKey is OSXAAMJFNYJZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-19-14-7-5-6-8-15(14)20(17(19)22)12-10-16(21)18-11-9-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,18,21).
What are the key properties of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide?
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide has a molecular weight of 303.41 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 16573526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).