5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide

C11H10ClN3O — CID 76967240

IUPAC5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide
SMILESCc1ccc(-c2nc(C(N)=O)[nH]c2Cl)cc1
InChIInChI=1S/C11H10ClN3O/c1-6-2-4-7(5-3-6)8-9(12)15-11(14-8)10(13)16/h2-5H,1H3,(H2,13,16)(H,14,15)
InChIKeyLQRJEEYWJGJHJA-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.14
Rot. Bonds2

About 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide

5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide (PubChem CID 76967240) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide
PubChem CID76967240
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide
SMILESCc1ccc(-c2nc(C(N)=O)[nH]c2Cl)cc1
InChIInChI=1S/C11H10ClN3O/c1-6-2-4-7(5-3-6)8-9(12)15-11(14-8)10(13)16/h2-5H,1H3,(H2,13,16)(H,14,15)
InChIKeyLQRJEEYWJGJHJA-UHFFFAOYSA-N
XLogP2.14
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide 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 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide?
The IUPAC name of 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide (CID 76967240) is 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide is Cc1ccc(-c2nc(C(N)=O)[nH]c2Cl)cc1.
What is the InChIKey of 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide?
The InChIKey is LQRJEEYWJGJHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-6-2-4-7(5-3-6)8-9(12)15-11(14-8)10(13)16/h2-5H,1H3,(H2,13,16)(H,14,15).
What are the key properties of 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide?
5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide has a molecular weight of 235.67 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 76967240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).