2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide

C21H32N4O — CID 23609975

IUPAC2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c(CN2CCCCCC2)nc2ccccc21
InChIInChI=1S/C21H32N4O/c1-3-4-13-23(2)21(26)17-25-19-12-8-7-11-18(19)22-20(25)16-24-14-9-5-6-10-15-24/h7-8,11-12H,3-6,9-10,13-17H2,1-2H3
InChIKeyLTYPNJNUVHMAOH-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.67
Rot. Bonds7

About 2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide

2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide (PubChem CID 23609975) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
PubChem CID23609975
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c(CN2CCCCCC2)nc2ccccc21
InChIInChI=1S/C21H32N4O/c1-3-4-13-23(2)21(26)17-25-19-12-8-7-11-18(19)22-20(25)16-24-14-9-5-6-10-15-24/h7-8,11-12H,3-6,9-10,13-17H2,1-2H3
InChIKeyLTYPNJNUVHMAOH-UHFFFAOYSA-N
XLogP3.67
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 16996476
N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide
CID 19242365
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
N-butyl-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 124818216
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-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]-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide?
The IUPAC name of 2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide (CID 23609975) is 2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide?
The canonical SMILES for 2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide is CCCCN(C)C(=O)Cn1c(CN2CCCCCC2)nc2ccccc21.
What is the InChIKey of 2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide?
The InChIKey is LTYPNJNUVHMAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-3-4-13-23(2)21(26)17-25-19-12-8-7-11-18(19)22-20(25)16-24-14-9-5-6-10-15-24/h7-8,11-12H,3-6,9-10,13-17H2,1-2H3.
What are the key properties of 2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide?
2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide has a molecular weight of 356.51 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide is sourced from PubChem (CID 23609975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).