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

C21H20Cl3N5O — CID 11155520

IUPAC1-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cn1
InChIInChI=1S/C21H20Cl3N5O/c1-13-19(21(30)27-28-9-3-2-4-10-28)26-20(16-7-5-14(22)11-17(16)24)29(13)18-8-6-15(23)12-25-18/h5-8,11-12H,2-4,9-10H2,1H3,(H,27,30)
InChIKeyIZZAUGOELHTXOR-UHFFFAOYSA-N
MW464.78 g/mol
LogP5.33
Rot. Bonds4

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

1-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide (PubChem CID 11155520) has the molecular formula C21H20Cl3N5O and a molecular weight of 464.78 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
PubChem CID11155520
Molecular FormulaC21H20Cl3N5O
Molecular Weight464.78 g/mol
Exact Mass463.07
IUPAC Name1-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cn1
InChIInChI=1S/C21H20Cl3N5O/c1-13-19(21(30)27-28-9-3-2-4-10-28)26-20(16-7-5-14(22)11-17(16)24)29(13)18-8-6-15(23)12-25-18/h5-8,11-12H,2-4,9-10H2,1H3,(H,27,30)
InChIKeyIZZAUGOELHTXOR-UHFFFAOYSA-N
XLogP5.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.78
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide (CID 11155520) is 1-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide is Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The InChIKey is IZZAUGOELHTXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl3N5O/c1-13-19(21(30)27-28-9-3-2-4-10-28)26-20(16-7-5-14(22)11-17(16)24)29(13)18-8-6-15(23)12-25-18/h5-8,11-12H,2-4,9-10H2,1H3,(H,27,30).
What are the key properties of 1-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
1-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide has a molecular weight of 464.78 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 11155520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).