N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide

C13H13Cl2N3O — CID 23162526

IUPACN-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)n1cncc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-8(2)18-7-16-6-12(18)13(19)17-11-4-3-9(14)5-10(11)15/h3-8H,1-2H3,(H,17,19)
InChIKeyVQCCUXJPUBGCTP-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.02
Rot. Bonds3

About N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide

N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide (PubChem CID 23162526) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide
PubChem CID23162526
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC NameN-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)n1cncc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-8(2)18-7-16-6-12(18)13(19)17-11-4-3-9(14)5-10(11)15/h3-8H,1-2H3,(H,17,19)
InChIKeyVQCCUXJPUBGCTP-UHFFFAOYSA-N
XLogP4.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide 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

4-amino-N-(2,4-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642744
4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643581
N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103873896
N-(2,4-dichlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41484356
N-(2,4-dichlorophenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223536
N-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide
CID 67933898
N-(2,4-dichlorophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200683
4-[(2,4-dichlorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496071
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782622
N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 107675810
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641233

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide (CID 23162526) is N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide is CC(C)n1cncc1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide?
The InChIKey is VQCCUXJPUBGCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-8(2)18-7-16-6-12(18)13(19)17-11-4-3-9(14)5-10(11)15/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide?
N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide has a molecular weight of 298.17 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 23162526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).