N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide

C16H14ClN3O — CID 57195475

IUPACN-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide
SMILESCc1cc(-c2nc3ccccc3[nH]2)ccc1NC(=O)CCl
InChIInChI=1S/C16H14ClN3O/c1-10-8-11(6-7-12(10)18-15(21)9-17)16-19-13-4-2-3-5-14(13)20-16/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyOLEOTRQOPOTMIZ-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.72
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide

N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide (PubChem CID 57195475) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide
PubChem CID57195475
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide
SMILESCc1cc(-c2nc3ccccc3[nH]2)ccc1NC(=O)CCl
InChIInChI=1S/C16H14ClN3O/c1-10-8-11(6-7-12(10)18-15(21)9-17)16-19-13-4-2-3-5-14(13)20-16/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyOLEOTRQOPOTMIZ-UHFFFAOYSA-N
XLogP3.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide (CID 57195475) is N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide is Cc1cc(-c2nc3ccccc3[nH]2)ccc1NC(=O)CCl.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide?
The InChIKey is OLEOTRQOPOTMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-8-11(6-7-12(10)18-15(21)9-17)16-19-13-4-2-3-5-14(13)20-16/h2-8H,9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide?
N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide has a molecular weight of 299.76 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide is sourced from PubChem (CID 57195475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).