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

C22H21Cl3N4O — CID 10183243

IUPAC4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide
SMILESCn1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H21Cl3N4O/c1-28-20(17-10-9-16(24)13-18(17)25)19(14-5-7-15(23)8-6-14)26-21(28)22(30)27-29-11-3-2-4-12-29/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
InChIKeyKHIOIDKKUYQDMD-UHFFFAOYSA-N
MW463.80 g/mol
LogP5.84
Rot. Bonds4

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

4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide (PubChem CID 10183243) has the molecular formula C22H21Cl3N4O and a molecular weight of 463.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide
PubChem CID10183243
Molecular FormulaC22H21Cl3N4O
Molecular Weight463.80 g/mol
Exact Mass462.08
IUPAC Name4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide
SMILESCn1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H21Cl3N4O/c1-28-20(17-10-9-16(24)13-18(17)25)19(14-5-7-15(23)8-6-14)26-21(28)22(30)27-29-11-3-2-4-12-29/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
InChIKeyKHIOIDKKUYQDMD-UHFFFAOYSA-N
XLogP5.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.80
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide (CID 10183243) is 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide is Cn1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide?
The InChIKey is KHIOIDKKUYQDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl3N4O/c1-28-20(17-10-9-16(24)13-18(17)25)19(14-5-7-15(23)8-6-14)26-21(28)22(30)27-29-11-3-2-4-12-29/h5-10,13H,2-4,11-12H2,1H3,(H,27,30).
What are the key properties of 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide?
4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide has a molecular weight of 463.80 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide is sourced from PubChem (CID 10183243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).