2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide

C24H25Cl2N3O3 — CID 86591637

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1OCCO)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C24H25Cl2N3O3/c25-16-9-11-17(12-10-16)29-15-21(27-23(29)18-5-1-2-6-19(18)26)24(31)28-20-7-3-4-8-22(20)32-14-13-30/h1-2,5-6,9-12,15,20,22,30H,3-4,7-8,13-14H2,(H,28,31)/t20-,22+/m1/s1
InChIKeyLKRXETOXWUDFQM-IRLDBZIGSA-N
MW474.39 g/mol
LogP4.90
Rot. Bonds7

About 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide

2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide (PubChem CID 86591637) has the molecular formula C24H25Cl2N3O3 and a molecular weight of 474.39 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide
PubChem CID86591637
Molecular FormulaC24H25Cl2N3O3
Molecular Weight474.39 g/mol
Exact Mass473.13
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1OCCO)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C24H25Cl2N3O3/c25-16-9-11-17(12-10-16)29-15-21(27-23(29)18-5-1-2-6-19(18)26)24(31)28-20-7-3-4-8-22(20)32-14-13-30/h1-2,5-6,9-12,15,20,22,30H,3-4,7-8,13-14H2,(H,28,31)/t20-,22+/m1/s1
InChIKeyLKRXETOXWUDFQM-IRLDBZIGSA-N
XLogP4.90
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.39
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide (CID 86591637) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide is O=C(N[C@@H]1CCCC[C@@H]1OCCO)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide?
The InChIKey is LKRXETOXWUDFQM-IRLDBZIGSA-N. The full InChI is InChI=1S/C24H25Cl2N3O3/c25-16-9-11-17(12-10-16)29-15-21(27-23(29)18-5-1-2-6-19(18)26)24(31)28-20-7-3-4-8-22(20)32-14-13-30/h1-2,5-6,9-12,15,20,22,30H,3-4,7-8,13-14H2,(H,28,31)/t20-,22+/m1/s1.
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide?
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide has a molecular weight of 474.39 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-2-(2-hydroxyethoxy)cyclohexyl]imidazole-4-carboxamide is sourced from PubChem (CID 86591637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).