2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide

C17H16ClN3O — CID 110779237

IUPAC2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
SMILESCc1nc2cc(NC(=O)Cc3cccc(Cl)c3)ccc2n1C
InChIInChI=1S/C17H16ClN3O/c1-11-19-15-10-14(6-7-16(15)21(11)2)20-17(22)9-12-4-3-5-13(18)8-12/h3-8,10H,9H2,1-2H3,(H,20,22)
InChIKeyNEPPMZKIRYHTBG-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.72
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide

2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide (PubChem CID 110779237) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
PubChem CID110779237
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
SMILESCc1nc2cc(NC(=O)Cc3cccc(Cl)c3)ccc2n1C
InChIInChI=1S/C17H16ClN3O/c1-11-19-15-10-14(6-7-16(15)21(11)2)20-17(22)9-12-4-3-5-13(18)8-12/h3-8,10H,9H2,1-2H3,(H,20,22)
InChIKeyNEPPMZKIRYHTBG-UHFFFAOYSA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-dimethylbenzimidazol-5-yl)-N-(3-methylphenyl)acetamide
CID 110773176
N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773172
N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112527544
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773200
2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919
2-(3-chlorophenyl)-N-quinoxalin-6-ylacetamide
CID 110723735
2-(1,2-dimethylbenzimidazol-5-yl)-N-(1H-indazol-6-yl)acetamide
CID 110773214
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea
CID 894122
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide (CID 110779237) is 2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide is Cc1nc2cc(NC(=O)Cc3cccc(Cl)c3)ccc2n1C.
What is the InChIKey of 2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide?
The InChIKey is NEPPMZKIRYHTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-11-19-15-10-14(6-7-16(15)21(11)2)20-17(22)9-12-4-3-5-13(18)8-12/h3-8,10H,9H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide?
2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide has a molecular weight of 313.79 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 110779237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).