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

C22H20Cl4N4O — CID 10207068

IUPAC4,5-bis(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide
SMILESCn1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H20Cl4N4O/c1-29-20(16-8-6-14(24)12-18(16)26)19(15-7-5-13(23)11-17(15)25)27-21(29)22(31)28-30-9-3-2-4-10-30/h5-8,11-12H,2-4,9-10H2,1H3,(H,28,31)
InChIKeyMLLKJQJPAAWFLN-UHFFFAOYSA-N
MW498.24 g/mol
LogP6.50
Rot. Bonds4

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

4,5-bis(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide (PubChem CID 10207068) has the molecular formula C22H20Cl4N4O and a molecular weight of 498.24 g/mol. Its IUPAC name is 4,5-bis(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide.

Molecular Properties

Compound Name4,5-bis(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide
PubChem CID10207068
Molecular FormulaC22H20Cl4N4O
Molecular Weight498.24 g/mol
Exact Mass496.04
IUPAC Name4,5-bis(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide
SMILESCn1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H20Cl4N4O/c1-29-20(16-8-6-14(24)12-18(16)26)19(15-7-5-13(23)11-17(15)25)27-21(29)22(31)28-30-9-3-2-4-10-30/h5-8,11-12H,2-4,9-10H2,1H3,(H,28,31)
InChIKeyMLLKJQJPAAWFLN-UHFFFAOYSA-N
XLogP6.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.24
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-1,5-dimethyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 10309178
N-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
CID 10274740
5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide
CID 10140562
5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
CID 24881410
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11375615
2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide
CID 59363248
2-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11213299
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 67478464
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfinyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 23654364
2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 4998339
2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-pyridin-2-ylimidazole-4-carboxamide
CID 23654363
1-(4-chlorophenyl)-5-cyano-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide
CID 11190694

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide?
The IUPAC name of 4,5-bis(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide (CID 10207068) is 4,5-bis(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide.
What is the SMILES notation for 4,5-bis(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide?
The canonical SMILES for 4,5-bis(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide is Cn1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4,5-bis(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide?
The InChIKey is MLLKJQJPAAWFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl4N4O/c1-29-20(16-8-6-14(24)12-18(16)26)19(15-7-5-13(23)11-17(15)25)27-21(29)22(31)28-30-9-3-2-4-10-30/h5-8,11-12H,2-4,9-10H2,1H3,(H,28,31).
What are the key properties of 4,5-bis(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide?
4,5-bis(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide has a molecular weight of 498.24 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide is sourced from PubChem (CID 10207068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).