2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide

C17H25N3O — CID 16968998

IUPAC2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NC(C)c1nc2ccccc2n1CC
InChIInChI=1S/C17H25N3O/c1-5-13(6-2)17(21)18-12(4)16-19-14-10-8-9-11-15(14)20(16)7-3/h8-13H,5-7H2,1-4H3,(H,18,21)
InChIKeyVFFHKGGQRQANHM-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.67
Rot. Bonds6

About 2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide

2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide (PubChem CID 16968998) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
PubChem CID16968998
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCC(CC)C(=O)NC(C)c1nc2ccccc2n1CC
InChIInChI=1S/C17H25N3O/c1-5-13(6-2)17(21)18-12(4)16-19-14-10-8-9-11-15(14)20(16)7-3/h8-13H,5-7H2,1-4H3,(H,18,21)
InChIKeyVFFHKGGQRQANHM-UHFFFAOYSA-N
XLogP3.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969002
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969021
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119866240
2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969046
2-ethyl-N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969055
2-ethyl-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969122
N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16969053
(2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide
CID 95234012
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
N-[1-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16969089
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069
2-ethyl-N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969072

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide (CID 16968998) is 2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide is CCC(CC)C(=O)NC(C)c1nc2ccccc2n1CC.
What is the InChIKey of 2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide?
The InChIKey is VFFHKGGQRQANHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-13(6-2)17(21)18-12(4)16-19-14-10-8-9-11-15(14)20(16)7-3/h8-13H,5-7H2,1-4H3,(H,18,21).
What are the key properties of 2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide?
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide has a molecular weight of 287.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 16968998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).