N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

C17H16ClN3O2 — CID 113195253

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2c(=O)[nH]c3ccccc32)c(Cl)c1
InChIInChI=1S/C17H16ClN3O2/c1-10-7-11(2)16(12(18)8-10)20-15(22)9-21-14-6-4-3-5-13(14)19-17(21)23/h3-8H,9H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyUUCCDJSNOPBKJI-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.24
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 113195253) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID113195253
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2c(=O)[nH]c3ccccc32)c(Cl)c1
InChIInChI=1S/C17H16ClN3O2/c1-10-7-11(2)16(12(18)8-10)20-15(22)9-21-14-6-4-3-5-13(14)19-17(21)23/h3-8H,9H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyUUCCDJSNOPBKJI-UHFFFAOYSA-N
XLogP3.24
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195248
N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8012872
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195295
N-(3-chloro-4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 86997374
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195277
N-(4-methyl-3-sulfamoylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 87002434
N-(4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195258
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7466038
methyl 1-ethyl-3-methyl-4-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]pyrazole-5-carboxylate
CID 75450669
2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid
CID 119223469
N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195260
N-(2,4-dimethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195265

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 113195253) is N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is Cc1cc(C)c(NC(=O)Cn2c(=O)[nH]c3ccccc32)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is UUCCDJSNOPBKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-10-7-11(2)16(12(18)8-10)20-15(22)9-21-14-6-4-3-5-13(14)19-17(21)23/h3-8H,9H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 329.79 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 113195253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).