2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide

C10H9Cl2N3O — CID 104837307

IUPAC2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
SMILESNC(=O)Cn1c(CCl)nc2c(Cl)cccc21
InChIInChI=1S/C10H9Cl2N3O/c11-4-9-14-10-6(12)2-1-3-7(10)15(9)5-8(13)16/h1-3H,4-5H2,(H2,13,16)
InChIKeyUOMJNWCPIHOIPZ-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.91
Rot. Bonds3

About 2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide

2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide (PubChem CID 104837307) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
PubChem CID104837307
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
SMILESNC(=O)Cn1c(CCl)nc2c(Cl)cccc21
InChIInChI=1S/C10H9Cl2N3O/c11-4-9-14-10-6(12)2-1-3-7(10)15(9)5-8(13)16/h1-3H,4-5H2,(H2,13,16)
InChIKeyUOMJNWCPIHOIPZ-UHFFFAOYSA-N
XLogP1.91
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-chloro-2-(chloromethyl)benzimidazol-1-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

Related Compounds

2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
CID 104836765
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 104838625
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylacetamide
CID 104838622
3-[4-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide
CID 104837684
3-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-3-methylbutanamide
CID 106097695
3-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-ethylpropanamide
CID 113459222
3-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,2,2-trimethylpropanamide
CID 106278961
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
CID 115470747
1-butyl-4-chloro-2-(chloromethyl)benzimidazole
CID 104837320
4-chloro-2-(chloromethyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 104838062
4-chloro-2-(chloromethyl)-1-(5-methylhexyl)benzimidazole
CID 104838543
4-chloro-2-(chloromethyl)-1-(2-pyridin-4-ylethyl)benzimidazole
CID 104837726

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of 2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide (CID 104837307) is 2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for 2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide is NC(=O)Cn1c(CCl)nc2c(Cl)cccc21.
What is the InChIKey of 2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is UOMJNWCPIHOIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c11-4-9-14-10-6(12)2-1-3-7(10)15(9)5-8(13)16/h1-3H,4-5H2,(H2,13,16).
What are the key properties of 2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide?
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 258.11 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 104837307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).