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

C23H23Cl3N4O — CID 11408950

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23Cl3N4O/c1-2-20-21(23(31)28-29-12-4-3-5-13-29)27-22(18-11-8-16(25)14-19(18)26)30(20)17-9-6-15(24)7-10-17/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
InChIKeyRQFDHAZJXWQQBK-UHFFFAOYSA-N
MW477.82 g/mol
LogP6.19
Rot. Bonds5

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

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide (PubChem CID 11408950) has the molecular formula C23H23Cl3N4O and a molecular weight of 477.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide
PubChem CID11408950
Molecular FormulaC23H23Cl3N4O
Molecular Weight477.82 g/mol
Exact Mass476.09
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23Cl3N4O/c1-2-20-21(23(31)28-29-12-4-3-5-13-29)27-22(18-11-8-16(25)14-19(18)26)30(20)17-9-6-15(24)7-10-17/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
InChIKeyRQFDHAZJXWQQBK-UHFFFAOYSA-N
XLogP6.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.82
LogP ≤ 56.19
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)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide (CID 11408950) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide is CCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide?
The InChIKey is RQFDHAZJXWQQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl3N4O/c1-2-20-21(23(31)28-29-12-4-3-5-13-29)27-22(18-11-8-16(25)14-19(18)26)30(20)17-9-6-15(24)7-10-17/h6-11,14H,2-5,12-13H2,1H3,(H,28,31).
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide has a molecular weight of 477.82 g/mol, XLogP of 6.19, 5 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)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 11408950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).