1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide

C18H17ClN4O — CID 71580442

IUPAC1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)c2C)n1
InChIInChI=1S/C18H17ClN4O/c1-11-5-4-6-16(20-11)22-18(24)17-12(2)23(13(3)21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,22,24)
InChIKeyGQXARJIERBZYNS-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.10
Rot. Bonds3

About 1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide

1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide (PubChem CID 71580442) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
PubChem CID71580442
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)c2C)n1
InChIInChI=1S/C18H17ClN4O/c1-11-5-4-6-16(20-11)22-18(24)17-12(2)23(13(3)21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,22,24)
InChIKeyGQXARJIERBZYNS-UHFFFAOYSA-N
XLogP4.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chlorophenyl)-2-(2-chlorophenyl)-5-ethyl-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 10114327
1-(4-fluorophenyl)-2,5-dimethyl-N-(6-methylpyridin-2-yl)-1H-imidazole-4-carboxamide
CID 71580330
N-(2-chloropyrimidin-4-yl)-2,5-dimethyl-1-phenyl-1H-imidazole-4-carboxamide
CID 71580550
7-Butyl-8-{[4-(3-chlorophenyl)piperazinyl]methyl}-3-methyl-1,3,7-trihydropurin e-2,6-dione
CID 3240375
3-(4-Chloro-phenyl)-8-ethyl-1-methyl-7-(1-propyl-butyl)-1,2,3,7-tetrahydro-purin-6-one
CID 11188421
N~5~-(4-chlorophenyl)-1-methyl-4-[(4-pyridylmethyl)amino]-1H-imidazole-5-carboxamide
CID 44439363
1-(3,4-dichlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 71580331
1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
CID 71580332
2,5-dimethyl-N-(6-methylpyridin-2-yl)-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 71580334
1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide
CID 71580443
N-(5-fluoro-6-methyl-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide
CID 71717116
1-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide
CID 71717117

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide (CID 71580442) is 1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide is Cc1cccc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)c2C)n1.
What is the InChIKey of 1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The InChIKey is GQXARJIERBZYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11-5-4-6-16(20-11)22-18(24)17-12(2)23(13(3)21-17)15-9-7-14(19)8-10-15/h4-10H,1-3H3,(H,20,22,24).
What are the key properties of 1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 71580442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).