2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide

C16H14ClN3O — CID 6459558

IUPAC2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3ccccc32)ccc1Cl
InChIInChI=1S/C16H14ClN3O/c1-11-8-12(6-7-13(11)17)19-16(21)9-20-10-18-14-4-2-3-5-15(14)20/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyHIYXDQHYZMGSBV-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.64
Rot. Bonds3

About 2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide

2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide (PubChem CID 6459558) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
PubChem CID6459558
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3ccccc32)ccc1Cl
InChIInChI=1S/C16H14ClN3O/c1-11-8-12(6-7-13(11)17)19-16(21)9-20-10-18-14-4-2-3-5-15(14)20/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyHIYXDQHYZMGSBV-UHFFFAOYSA-N
XLogP3.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
N'-[2-(benzimidazol-1-yl)acetyl]-4-(4-chloro-3-methylphenoxy)butanehydrazide
CID 2449865
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 729287
2-(benzimidazol-1-yl)-N-(3-phenylphenyl)acetamide;hydrochloride
CID 66899593
4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
CID 6969911
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841
2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316227
2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122324098
2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2437108
2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 122288252

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide (CID 6459558) is 2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide is Cc1cc(NC(=O)Cn2cnc3ccccc32)ccc1Cl.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide?
The InChIKey is HIYXDQHYZMGSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11-8-12(6-7-13(11)17)19-16(21)9-20-10-18-14-4-2-3-5-15(14)20/h2-8,10H,9H2,1H3,(H,19,21).
What are the key properties of 2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide?
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide has a molecular weight of 299.76 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide is sourced from PubChem (CID 6459558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).