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

C22H21Cl3N4O — CID 10205057

IUPAC5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide
SMILESCn1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl3N4O/c1-28-20(14-5-7-15(23)8-6-14)19(17-10-9-16(24)13-18(17)25)26-21(28)22(30)27-29-11-3-2-4-12-29/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
InChIKeyDNTJWOCEIHPWHC-UHFFFAOYSA-N
MW463.80 g/mol
LogP5.84
Rot. Bonds4

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

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide (PubChem CID 10205057) has the molecular formula C22H21Cl3N4O and a molecular weight of 463.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide
PubChem CID10205057
Molecular FormulaC22H21Cl3N4O
Molecular Weight463.80 g/mol
Exact Mass462.08
IUPAC Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide
SMILESCn1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl3N4O/c1-28-20(14-5-7-15(23)8-6-14)19(17-10-9-16(24)13-18(17)25)26-21(28)22(30)27-29-11-3-2-4-12-29/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
InChIKeyDNTJWOCEIHPWHC-UHFFFAOYSA-N
XLogP5.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.80
LogP ≤ 55.84
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-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-ethyl-1H-imidazole-4-carboxylic acid piperidin-1-ylamide
CID 11408950
5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-1-methyl-imidazole-2-carboxamide
CID 9847217
N-(Cycloheptyl)-4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-1-methylimidazole-2-carboxamide
CID 10116471
1-methyl-N-(piperidin-1-yl)-4,5-dip-tolyl-1H-imidazole-2-carboxamide
CID 10157119
N-(t-Butyl)-4,5-di-(4-chlorophenyl)-1-methylimidazole-2-carboxamide
CID 10157922
N-(Phenyl)-4-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-1-methylimidazole-2-carboxamide
CID 10182828
N-(Piperidin-1-yl)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
CID 10183243
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid morpholin-4-ylamide
CID 10195397
N-(Cyclohexyl)-4,5-di-(4-chlorophenyl)-1-methylimidazole-2-carboxamide
CID 10202808
4,5-Bis-(4-chloro-phenyl)-1-methyl-1H-imidazole-2-carboxylic acid piperidin-1-ylamide
CID 10202883
N-(Cyclohexyl)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
CID 10204999

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide (CID 10205057) is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide is Cn1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide?
The InChIKey is DNTJWOCEIHPWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl3N4O/c1-28-20(14-5-7-15(23)8-6-14)19(17-10-9-16(24)13-18(17)25)26-21(28)22(30)27-29-11-3-2-4-12-29/h5-10,13H,2-4,11-12H2,1H3,(H,27,30).
What are the key properties of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide?
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide has a molecular weight of 463.80 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide is sourced from PubChem (CID 10205057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).