1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-hydroxycyclohexyl)-5-methylimidazole-4-carboxamide

C23H22Cl3N3O2 — CID 11329073

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-hydroxycyclohexyl)-5-methylimidazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCC(O)CC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl3N3O2/c1-13-21(23(31)27-16-5-9-18(30)10-6-16)28-22(19-11-4-15(25)12-20(19)26)29(13)17-7-2-14(24)3-8-17/h2-4,7-8,11-12,16,18,30H,5-6,9-10H2,1H3,(H,27,31)
InChIKeyQODRGVWMWOLMTE-UHFFFAOYSA-N
MW478.81 g/mol
LogP5.84
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-hydroxycyclohexyl)-5-methylimidazole-4-carboxamide

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-hydroxycyclohexyl)-5-methylimidazole-4-carboxamide (PubChem CID 11329073) has the molecular formula C23H22Cl3N3O2 and a molecular weight of 478.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-hydroxycyclohexyl)-5-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-hydroxycyclohexyl)-5-methylimidazole-4-carboxamide
PubChem CID11329073
Molecular FormulaC23H22Cl3N3O2
Molecular Weight478.81 g/mol
Exact Mass477.08
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-hydroxycyclohexyl)-5-methylimidazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCC(O)CC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl3N3O2/c1-13-21(23(31)27-16-5-9-18(30)10-6-16)28-22(19-11-4-15(25)12-20(19)26)29(13)17-7-2-14(24)3-8-17/h2-4,7-8,11-12,16,18,30H,5-6,9-10H2,1H3,(H,27,31)
InChIKeyQODRGVWMWOLMTE-UHFFFAOYSA-N
XLogP5.84
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.81
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid cyclohexylamide
CID 10195347
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-((1S,2S)-2-hydroxycyclohexyl)-1H-imidazole-4-carboxamide
CID 10276190
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
4-{2-(2,4-dichlorophenyl)-4-[(4-hydroxycyclohexyl)carbamoyl]-5-methyl-1H-imidazol-1-yl}phenyl 3,3,3-trifluoropropane-1-sulfonate
CID 16659585
[4-[2-(2,4-dichlorophenyl)-4-[[(1R,2S)-2-hydroxycyclohexyl]carbamoyl]-5-methylimidazol-1-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate
CID 16661352
[4-[2-(2,4-dichlorophenyl)-4-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-5-methylimidazol-1-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate
CID 16661657
N-(2-bicyclo[2.2.1]heptanyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide
CID 21949054
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2-hydroxycyclopentyl)-1H-imidazole-4-carboxamide
CID 10112572
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid cyclopentylamide
CID 10127496
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2-hydroxycyclohexyl)-5-propyl-1H-imidazole-4-carboxamide
CID 10140173
1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-((1S,2S)-2-hydroxycyclohexyl)-1H-imidazole-4-carboxamide
CID 10141881

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-hydroxycyclohexyl)-5-methylimidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-hydroxycyclohexyl)-5-methylimidazole-4-carboxamide (CID 11329073) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-hydroxycyclohexyl)-5-methylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-hydroxycyclohexyl)-5-methylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-hydroxycyclohexyl)-5-methylimidazole-4-carboxamide is Cc1c(C(=O)NC2CCC(O)CC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-hydroxycyclohexyl)-5-methylimidazole-4-carboxamide?
The InChIKey is QODRGVWMWOLMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl3N3O2/c1-13-21(23(31)27-16-5-9-18(30)10-6-16)28-22(19-11-4-15(25)12-20(19)26)29(13)17-7-2-14(24)3-8-17/h2-4,7-8,11-12,16,18,30H,5-6,9-10H2,1H3,(H,27,31).
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-hydroxycyclohexyl)-5-methylimidazole-4-carboxamide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-hydroxycyclohexyl)-5-methylimidazole-4-carboxamide has a molecular weight of 478.81 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(4-hydroxycyclohexyl)-5-methylimidazole-4-carboxamide is sourced from PubChem (CID 11329073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).