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

C22H21Cl2N3O2 — CID 10159759

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C22H21Cl2N3O2/c23-14-9-11-15(12-10-14)27-13-19(22(29)26-18-7-3-4-8-20(18)28)25-21(27)16-5-1-2-6-17(16)24/h1-2,5-6,9-13,18,20,28H,3-4,7-8H2,(H,26,29)/t18-,20-/m0/s1
InChIKeyYANPAVHFFWLLEL-ICSRJNTNSA-N
MW430.34 g/mol
LogP4.88
Rot. Bonds4

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

2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide (PubChem CID 10159759) has the molecular formula C22H21Cl2N3O2 and a molecular weight of 430.34 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide
PubChem CID10159759
Molecular FormulaC22H21Cl2N3O2
Molecular Weight430.34 g/mol
Exact Mass429.10
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C22H21Cl2N3O2/c23-14-9-11-15(12-10-14)27-13-19(22(29)26-18-7-3-4-8-20(18)28)25-21(27)16-5-1-2-6-17(16)24/h1-2,5-6,9-13,18,20,28H,3-4,7-8H2,(H,26,29)/t18-,20-/m0/s1
InChIKeyYANPAVHFFWLLEL-ICSRJNTNSA-N
XLogP4.88
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide (CID 10159759) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide is O=C(N[C@H]1CCCC[C@@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide?
The InChIKey is YANPAVHFFWLLEL-ICSRJNTNSA-N. The full InChI is InChI=1S/C22H21Cl2N3O2/c23-14-9-11-15(12-10-14)27-13-19(22(29)26-18-7-3-4-8-20(18)28)25-21(27)16-5-1-2-6-17(16)24/h1-2,5-6,9-13,18,20,28H,3-4,7-8H2,(H,26,29)/t18-,20-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide?
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide has a molecular weight of 430.34 g/mol, XLogP of 4.88, 4 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]imidazole-4-carboxamide is sourced from PubChem (CID 10159759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).