2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5-propylimidazole-4-carboxamide

C25H27Cl2N3O2 — CID 10140173

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5-propylimidazole-4-carboxamide
SMILESCCCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C25H27Cl2N3O2/c1-2-7-21-23(25(32)28-20-10-5-6-11-22(20)31)29-24(18-8-3-4-9-19(18)27)30(21)17-14-12-16(26)13-15-17/h3-4,8-9,12-15,20,22,31H,2,5-7,10-11H2,1H3,(H,28,32)/t20-,22-/m0/s1
InChIKeyNCWAUMZDRVRELN-UNMCSNQZSA-N
MW472.42 g/mol
LogP5.83
Rot. Bonds6

About 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5-propylimidazole-4-carboxamide

2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5-propylimidazole-4-carboxamide (PubChem CID 10140173) has the molecular formula C25H27Cl2N3O2 and a molecular weight of 472.42 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5-propylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5-propylimidazole-4-carboxamide
PubChem CID10140173
Molecular FormulaC25H27Cl2N3O2
Molecular Weight472.42 g/mol
Exact Mass471.15
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5-propylimidazole-4-carboxamide
SMILESCCCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C25H27Cl2N3O2/c1-2-7-21-23(25(32)28-20-10-5-6-11-22(20)31)29-24(18-8-3-4-9-19(18)27)30(21)17-14-12-16(26)13-15-17/h3-4,8-9,12-15,20,22,31H,2,5-7,10-11H2,1H3,(H,28,32)/t20-,22-/m0/s1
InChIKeyNCWAUMZDRVRELN-UNMCSNQZSA-N
XLogP5.83
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.42
LogP ≤ 55.83
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
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
1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethyl-N-((1S,2S)-2-hydroxycyclohexyl)-1H-imidazole-4-carboxamide
CID 10141881
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2-hydroxycyclohexyl)-1H-imidazole-4-carboxamide
CID 10159759
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid 4-trifluoromethyl-benzylamide
CID 11249677
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid (4-hydroxy-cyclohexyl)-amide
CID 11329073
[1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazol-4-yl]-(4-hydroxy-piperidin-1-yl)-methanone
CID 11784543
rac-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-1H-imidazole-4-carboxamide
CID 22285476

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5-propylimidazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5-propylimidazole-4-carboxamide (CID 10140173) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5-propylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5-propylimidazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5-propylimidazole-4-carboxamide is CCCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5-propylimidazole-4-carboxamide?
The InChIKey is NCWAUMZDRVRELN-UNMCSNQZSA-N. The full InChI is InChI=1S/C25H27Cl2N3O2/c1-2-7-21-23(25(32)28-20-10-5-6-11-22(20)31)29-24(18-8-3-4-9-19(18)27)30(21)17-14-12-16(26)13-15-17/h3-4,8-9,12-15,20,22,31H,2,5-7,10-11H2,1H3,(H,28,32)/t20-,22-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5-propylimidazole-4-carboxamide?
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5-propylimidazole-4-carboxamide has a molecular weight of 472.42 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-5-propylimidazole-4-carboxamide is sourced from PubChem (CID 10140173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).