5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide

C21H18BrCl3N4O — CID 11168529

IUPAC5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide
SMILESO=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1Br
InChIInChI=1S/C21H18BrCl3N4O/c22-19-18(21(30)27-28-10-2-1-3-11-28)26-20(16-9-6-14(24)12-17(16)25)29(19)15-7-4-13(23)5-8-15/h4-9,12H,1-3,10-11H2,(H,27,30)
InChIKeyCQOANAPFFHXAMB-UHFFFAOYSA-N
MW528.67 g/mol
LogP6.39
Rot. Bonds4

About 5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide

5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide (PubChem CID 11168529) has the molecular formula C21H18BrCl3N4O and a molecular weight of 528.67 g/mol. Its IUPAC name is 5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide
PubChem CID11168529
Molecular FormulaC21H18BrCl3N4O
Molecular Weight528.67 g/mol
Exact Mass525.97
IUPAC Name5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide
SMILESO=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1Br
InChIInChI=1S/C21H18BrCl3N4O/c22-19-18(21(30)27-28-10-2-1-3-11-28)26-20(16-9-6-14(24)12-17(16)25)29(19)15-7-4-13(23)5-8-15/h4-9,12H,1-3,10-11H2,(H,27,30)
InChIKeyCQOANAPFFHXAMB-UHFFFAOYSA-N
XLogP6.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.67
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide (CID 11168529) is 5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide is O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1Br.
What is the InChIKey of 5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide?
The InChIKey is CQOANAPFFHXAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrCl3N4O/c22-19-18(21(30)27-28-10-2-1-3-11-28)26-20(16-9-6-14(24)12-17(16)25)29(19)15-7-4-13(23)5-8-15/h4-9,12H,1-3,10-11H2,(H,27,30).
What are the key properties of 5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide?
5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide has a molecular weight of 528.67 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 11168529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).