N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide

C16H14ClN3O — CID 2990648

IUPACN-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c1-11-18-14-4-2-3-5-15(14)20(11)10-16(21)19-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,19,21)
InChIKeyQZFMSJABJRGZAY-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.64
Rot. Bonds3

About N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide

N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 2990648) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID2990648
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c1-11-18-14-4-2-3-5-15(14)20(11)10-16(21)19-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,19,21)
InChIKeyQZFMSJABJRGZAY-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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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide (CID 2990648) is N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is QZFMSJABJRGZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11-18-14-4-2-3-5-15(14)20(11)10-16(21)19-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide?
N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)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 N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 2990648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).