N-(1-ethylbenzimidazol-5-yl)butanamide

C13H17N3O — CID 2973046

IUPACN-(1-ethylbenzimidazol-5-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)ncn2CC
InChIInChI=1S/C13H17N3O/c1-3-5-13(17)15-10-6-7-12-11(8-10)14-9-16(12)4-2/h6-9H,3-5H2,1-2H3,(H,15,17)
InChIKeyUFFYXGRFLUCMKD-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.79
Rot. Bonds4

About N-(1-ethylbenzimidazol-5-yl)butanamide

N-(1-ethylbenzimidazol-5-yl)butanamide (PubChem CID 2973046) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-5-yl)butanamide
PubChem CID2973046
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(1-ethylbenzimidazol-5-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)ncn2CC
InChIInChI=1S/C13H17N3O/c1-3-5-13(17)15-10-6-7-12-11(8-10)14-9-16(12)4-2/h6-9H,3-5H2,1-2H3,(H,15,17)
InChIKeyUFFYXGRFLUCMKD-UHFFFAOYSA-N
XLogP2.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide
CID 98138865
N-(1-ethylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 828717
N-[1-(2-methoxyphenyl)benzimidazol-5-yl]butanamide
CID 2974525
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethylbenzimidazol-5-yl)propanamide
CID 46969280
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
1-ethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
CID 866291
N-phenazin-2-ylbutanamide
CID 73349412
N-(1-ethylbenzimidazol-5-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 46969013
2-[1-(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]-N-(1-ethylbenzimidazol-5-yl)acetamide
CID 175657170
N-(3-methylquinoxalin-6-yl)butanamide
CID 154505426
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-5-yl)butanamide?
The IUPAC name of N-(1-ethylbenzimidazol-5-yl)butanamide (CID 2973046) is N-(1-ethylbenzimidazol-5-yl)butanamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-5-yl)butanamide?
The canonical SMILES for N-(1-ethylbenzimidazol-5-yl)butanamide is CCCC(=O)Nc1ccc2c(c1)ncn2CC.
What is the InChIKey of N-(1-ethylbenzimidazol-5-yl)butanamide?
The InChIKey is UFFYXGRFLUCMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-5-13(17)15-10-6-7-12-11(8-10)14-9-16(12)4-2/h6-9H,3-5H2,1-2H3,(H,15,17).
What are the key properties of N-(1-ethylbenzimidazol-5-yl)butanamide?
N-(1-ethylbenzimidazol-5-yl)butanamide has a molecular weight of 231.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-5-yl)butanamide is sourced from PubChem (CID 2973046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).