N-(6-chloro-1H-benzimidazol-2-yl)acetamide

C9H8ClN3O — CID 13153370

IUPACN-(6-chloro-1H-benzimidazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C9H8ClN3O/c1-5(14)11-9-12-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3,(H2,11,12,13,14)
InChIKeyIBDNYLLOUHKULY-UHFFFAOYSA-N
MW209.64 g/mol
LogP2.17
Rot. Bonds1

About N-(6-chloro-1H-benzimidazol-2-yl)acetamide

N-(6-chloro-1H-benzimidazol-2-yl)acetamide (PubChem CID 13153370) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is N-(6-chloro-1H-benzimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-1H-benzimidazol-2-yl)acetamide
PubChem CID13153370
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC NameN-(6-chloro-1H-benzimidazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C9H8ClN3O/c1-5(14)11-9-12-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3,(H2,11,12,13,14)
InChIKeyIBDNYLLOUHKULY-UHFFFAOYSA-N
XLogP2.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(6-chloro-1H-benzimidazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1H-benzimidazol-2-yl)acetamide?
The IUPAC name of N-(6-chloro-1H-benzimidazol-2-yl)acetamide (CID 13153370) is N-(6-chloro-1H-benzimidazol-2-yl)acetamide.
What is the SMILES notation for N-(6-chloro-1H-benzimidazol-2-yl)acetamide?
The canonical SMILES for N-(6-chloro-1H-benzimidazol-2-yl)acetamide is CC(=O)Nc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-(6-chloro-1H-benzimidazol-2-yl)acetamide?
The InChIKey is IBDNYLLOUHKULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-5(14)11-9-12-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3,(H2,11,12,13,14).
What are the key properties of N-(6-chloro-1H-benzimidazol-2-yl)acetamide?
N-(6-chloro-1H-benzimidazol-2-yl)acetamide has a molecular weight of 209.64 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1H-benzimidazol-2-yl)acetamide is sourced from PubChem (CID 13153370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).