2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide

C23H24Cl2N4O — CID 10114327

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCCc1c(C(=O)NN2CCCCC2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24Cl2N4O/c1-2-20-21(23(30)27-28-14-6-3-7-15-28)26-22(18-8-4-5-9-19(18)25)29(20)17-12-10-16(24)11-13-17/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,27,30)
InChIKeyWIUAZKNCWYGPFK-UHFFFAOYSA-N
MW443.38 g/mol
LogP5.54
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide

2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide (PubChem CID 10114327) has the molecular formula C23H24Cl2N4O and a molecular weight of 443.38 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide
PubChem CID10114327
Molecular FormulaC23H24Cl2N4O
Molecular Weight443.38 g/mol
Exact Mass442.13
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCCc1c(C(=O)NN2CCCCC2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24Cl2N4O/c1-2-20-21(23(30)27-28-14-6-3-7-15-28)26-22(18-8-4-5-9-19(18)25)29(20)17-12-10-16(24)11-13-17/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,27,30)
InChIKeyWIUAZKNCWYGPFK-UHFFFAOYSA-N
XLogP5.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.38
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide (CID 10114327) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide is CCc1c(C(=O)NN2CCCCC2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide?
The InChIKey is WIUAZKNCWYGPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O/c1-2-20-21(23(30)27-28-14-6-3-7-15-28)26-22(18-8-4-5-9-19(18)25)29(20)17-12-10-16(24)11-13-17/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,27,30).
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide?
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide has a molecular weight of 443.38 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 10114327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).