N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide

C16H14ClN3O — CID 872991

IUPACN-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C16H14ClN3O/c1-11(21)18-16-19-14-8-4-5-9-15(14)20(16)10-12-6-2-3-7-13(12)17/h2-9H,10H2,1H3,(H,18,19,21)
InChIKeyULQZYDDZLCABPO-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.70
Rot. Bonds3

About N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide

N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide (PubChem CID 872991) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
PubChem CID872991
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C16H14ClN3O/c1-11(21)18-16-19-14-8-4-5-9-15(14)20(16)10-12-6-2-3-7-13(12)17/h2-9H,10H2,1H3,(H,18,19,21)
InChIKeyULQZYDDZLCABPO-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide (CID 872991) is N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide is CC(=O)Nc1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide?
The InChIKey is ULQZYDDZLCABPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11(21)18-16-19-14-8-4-5-9-15(14)20(16)10-12-6-2-3-7-13(12)17/h2-9H,10H2,1H3,(H,18,19,21).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide?
N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide has a molecular weight of 299.76 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]acetamide is sourced from PubChem (CID 872991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).