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

C21H19Cl3N4O — CID 10297613

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide
SMILESO=C(NN1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C21H19Cl3N4O/c22-14-4-7-16(8-5-14)28-13-19(21(29)26-27-10-2-1-3-11-27)25-20(28)17-9-6-15(23)12-18(17)24/h4-9,12-13H,1-3,10-11H2,(H,26,29)
InChIKeyCPZFFCWPBSKKAF-UHFFFAOYSA-N
MW449.77 g/mol
LogP5.63
Rot. Bonds4

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

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide (PubChem CID 10297613) has the molecular formula C21H19Cl3N4O and a molecular weight of 449.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide
PubChem CID10297613
Molecular FormulaC21H19Cl3N4O
Molecular Weight449.77 g/mol
Exact Mass448.06
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide
SMILESO=C(NN1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C21H19Cl3N4O/c22-14-4-7-16(8-5-14)28-13-19(21(29)26-27-10-2-1-3-11-27)25-20(28)17-9-6-15(23)12-18(17)24/h4-9,12-13H,1-3,10-11H2,(H,26,29)
InChIKeyCPZFFCWPBSKKAF-UHFFFAOYSA-N
XLogP5.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.77
LogP ≤ 55.63
H-Bond Donors ≤ 51
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-piperidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide (CID 10297613) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide is O=C(NN1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide?
The InChIKey is CPZFFCWPBSKKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl3N4O/c22-14-4-7-16(8-5-14)28-13-19(21(29)26-27-10-2-1-3-11-27)25-20(28)17-9-6-15(23)12-18(17)24/h4-9,12-13H,1-3,10-11H2,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide has a molecular weight of 449.77 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 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-piperidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 10297613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).