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

C22H20Cl3N3O2 — CID 22285476

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)imidazole-4-carboxamide
SMILESO=C(NC1CCCCC1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C22H20Cl3N3O2/c23-13-5-8-15(9-6-13)28-12-19(22(30)27-18-3-1-2-4-20(18)29)26-21(28)16-10-7-14(24)11-17(16)25/h5-12,18,20,29H,1-4H2,(H,27,30)
InChIKeyIMULKGNJBJYZHH-UHFFFAOYSA-N
MW464.78 g/mol
LogP5.53
Rot. Bonds4

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

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)imidazole-4-carboxamide (PubChem CID 22285476) has the molecular formula C22H20Cl3N3O2 and a molecular weight of 464.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)imidazole-4-carboxamide
PubChem CID22285476
Molecular FormulaC22H20Cl3N3O2
Molecular Weight464.78 g/mol
Exact Mass463.06
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)imidazole-4-carboxamide
SMILESO=C(NC1CCCCC1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C22H20Cl3N3O2/c23-13-5-8-15(9-6-13)28-12-19(22(30)27-18-3-1-2-4-20(18)29)26-21(28)16-10-7-14(24)11-17(16)25/h5-12,18,20,29H,1-4H2,(H,27,30)
InChIKeyIMULKGNJBJYZHH-UHFFFAOYSA-N
XLogP5.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.78
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)imidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)imidazole-4-carboxamide (CID 22285476) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)imidazole-4-carboxamide is O=C(NC1CCCCC1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)imidazole-4-carboxamide?
The InChIKey is IMULKGNJBJYZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl3N3O2/c23-13-5-8-15(9-6-13)28-12-19(22(30)27-18-3-1-2-4-20(18)29)26-21(28)16-10-7-14(24)11-17(16)25/h5-12,18,20,29H,1-4H2,(H,27,30).
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)imidazole-4-carboxamide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)imidazole-4-carboxamide has a molecular weight of 464.78 g/mol, XLogP of 5.53, 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-(2-hydroxycyclohexyl)imidazole-4-carboxamide is sourced from PubChem (CID 22285476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).