2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide

C22H21Cl2FN4O — CID 11305400

IUPAC2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1
InChIInChI=1S/C22H21Cl2FN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-21(18-10-5-15(23)13-19(18)24)29(14)17-8-6-16(25)7-9-17/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
InChIKeyPIQKCFMGYGBVIK-UHFFFAOYSA-N
MW447.34 g/mol
LogP5.42
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide

2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide (PubChem CID 11305400) has the molecular formula C22H21Cl2FN4O and a molecular weight of 447.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
PubChem CID11305400
Molecular FormulaC22H21Cl2FN4O
Molecular Weight447.34 g/mol
Exact Mass446.11
IUPAC Name2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1
InChIInChI=1S/C22H21Cl2FN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-21(18-10-5-15(23)13-19(18)24)29(14)17-8-6-16(25)7-9-17/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
InChIKeyPIQKCFMGYGBVIK-UHFFFAOYSA-N
XLogP5.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.34
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-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

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 11555526
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylthio)-N-(pyrrolidin-1-yl)-1H-imidazole-4-carboxamide
CID 46889224
1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylsulfinyl)-N-(piperidin-1-YL)-1H-imidazole-4-carboxamide (enantiomeric mix)
CID 23654364
1-(4-Chlorophenyl)-2-(2-chlorophenyl)-5-ethyl-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 10114327
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid cyclohexylamide
CID 10195347
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid cycloheptylamide
CID 11306088
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-ethyl-1H-imidazole-4-carboxylic acid piperidin-1-ylamide
CID 11408950
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid (hexahydro-cyclopenta[c]pyrrol-2-yl)-amide
CID 21949023
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 21949029
N-[(E)-1-(4-chlorophenyl)propylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 6060729
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid cyclopentylamide
CID 10127496
N-(Piperidin-1-yl)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
CID 10183243

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide (CID 11305400) is 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide is Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The InChIKey is PIQKCFMGYGBVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2FN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-21(18-10-5-15(23)13-19(18)24)29(14)17-8-6-16(25)7-9-17/h5-10,13H,2-4,11-12H2,1H3,(H,27,30).
What are the key properties of 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide has a molecular weight of 447.34 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 11305400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).