N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide

C20H23N3O — CID 17000570

IUPACN-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide
SMILESCCCCN(C)C(=O)Cn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H23N3O/c1-3-4-14-22(2)19(24)15-23-18-13-9-8-12-17(18)21-20(23)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3
InChIKeyHLRMXFLAZKIOPH-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.96
Rot. Bonds6

About N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide

N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide (PubChem CID 17000570) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide
PubChem CID17000570
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide
SMILESCCCCN(C)C(=O)Cn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H23N3O/c1-3-4-14-22(2)19(24)15-23-18-13-9-8-12-17(18)21-20(23)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3
InChIKeyHLRMXFLAZKIOPH-UHFFFAOYSA-N
XLogP3.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17001798
N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17002185
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-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974512
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 23609975
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979039
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974938
N-ethyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032718
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

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide (CID 17000570) is N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide is CCCCN(C)C(=O)Cn1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide?
The InChIKey is HLRMXFLAZKIOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-4-14-22(2)19(24)15-23-18-13-9-8-12-17(18)21-20(23)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3.
What are the key properties of N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide?
N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 17000570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).