N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide

C16H23N3O — CID 16996476

IUPACN-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c(CC)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-4-6-11-18(3)16(20)12-19-14-10-8-7-9-13(14)17-15(19)5-2/h7-10H,4-6,11-12H2,1-3H3
InChIKeySKQJOKZVIQKMFF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.86
Rot. Bonds6

About N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide

N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide (PubChem CID 16996476) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
PubChem CID16996476
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c(CC)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-4-6-11-18(3)16(20)12-19-14-10-8-7-9-13(14)17-15(19)5-2/h7-10H,4-6,11-12H2,1-3H3
InChIKeySKQJOKZVIQKMFF-UHFFFAOYSA-N
XLogP2.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide
CID 19242365
2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 23609975
N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17000570
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974512
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974938
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 16987945
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981083
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979039
N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964202
N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619314
N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17002185
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975540

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide?
The IUPAC name of N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide (CID 16996476) is N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide?
The canonical SMILES for N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide is CCCCN(C)C(=O)Cn1c(CC)nc2ccccc21.
What is the InChIKey of N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide?
The InChIKey is SKQJOKZVIQKMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-6-11-18(3)16(20)12-19-14-10-8-7-9-13(14)17-15(19)5-2/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide?
N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide has a molecular weight of 273.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 16996476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).