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

C16H23N3O2 — CID 19242365

IUPACN-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c(CCO)nc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-3-4-10-18(2)16(21)12-19-14-8-6-5-7-13(14)17-15(19)9-11-20/h5-8,20H,3-4,9-12H2,1-2H3
InChIKeyKWKVMAWXBTUFCN-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.83
Rot. Bonds7

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

N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide (PubChem CID 19242365) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide
PubChem CID19242365
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c(CCO)nc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-3-4-10-18(2)16(21)12-19-14-8-6-5-7-13(14)17-15(19)9-11-20/h5-8,20H,3-4,9-12H2,1-2H3
InChIKeyKWKVMAWXBTUFCN-UHFFFAOYSA-N
XLogP1.83
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 16996476
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-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981083
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 16987945
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979039
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]furan-2-carboxamide
CID 16975540
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976315
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976477
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(2-chlorophenyl)acetamide
CID 16985317

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide (CID 19242365) is N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide is CCCCN(C)C(=O)Cn1c(CCO)nc2ccccc21.
What is the InChIKey of N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide?
The InChIKey is KWKVMAWXBTUFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-4-10-18(2)16(21)12-19-14-8-6-5-7-13(14)17-15(19)9-11-20/h5-8,20H,3-4,9-12H2,1-2H3.
What are the key properties of N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide?
N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 289.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 19242365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).