2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide

C12H13ClN4O — CID 64510774

IUPAC2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H13ClN4O/c1-17(7-11-15-4-5-16-11)12(18)9-3-2-8(13)6-10(9)14/h2-6H,7,14H2,1H3,(H,15,16)
InChIKeyFIQPTOCFKSWTFE-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.92
Rot. Bonds3

About 2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide

2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide (PubChem CID 64510774) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
PubChem CID64510774
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H13ClN4O/c1-17(7-11-15-4-5-16-11)12(18)9-3-2-8(13)6-10(9)14/h2-6H,7,14H2,1H3,(H,15,16)
InChIKeyFIQPTOCFKSWTFE-UHFFFAOYSA-N
XLogP1.92
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide 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-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 106509738
4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81245737
4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63940212
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide
CID 113341404
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 66484932
2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 43345854
6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 64519117
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64517937
2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzamide
CID 63929949
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64516996
5-chloro-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114923790
2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide
CID 61118172

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
The IUPAC name of 2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide (CID 64510774) is 2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide is CN(Cc1ncc[nH]1)C(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
The InChIKey is FIQPTOCFKSWTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-17(7-11-15-4-5-16-11)12(18)9-3-2-8(13)6-10(9)14/h2-6H,7,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide has a molecular weight of 264.72 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 64510774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).