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

C20H22ClN3O — CID 17002185

IUPACN-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H22ClN3O/c1-3-4-13-23(2)19(25)14-24-18-12-8-7-11-17(18)22-20(24)15-9-5-6-10-16(15)21/h5-12H,3-4,13-14H2,1-2H3
InChIKeyKMMNPTNYXMNWRO-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.62
Rot. Bonds6

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

N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide (PubChem CID 17002185) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide
PubChem CID17002185
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC NameN-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H22ClN3O/c1-3-4-13-23(2)19(25)14-24-18-12-8-7-11-17(18)22-20(24)15-9-5-6-10-16(15)21/h5-12H,3-4,13-14H2,1-2H3
InChIKeyKMMNPTNYXMNWRO-UHFFFAOYSA-N
XLogP4.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17000570
N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 16996476
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
N-butyl-2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-N-methylacetamide
CID 19242365
N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17001798
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 23609975
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(2-chlorophenyl)acetamide
CID 16985317
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974512
N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 17032773
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974938
2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole
CID 18878777

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide (CID 17002185) is N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide is CCCCN(C)C(=O)Cn1c(-c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide?
The InChIKey is KMMNPTNYXMNWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-3-4-13-23(2)19(25)14-24-18-12-8-7-11-17(18)22-20(24)15-9-5-6-10-16(15)21/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide?
N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 355.87 g/mol, XLogP of 4.62, 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-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 17002185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).