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

C21H19Cl3N4O — CID 10216984

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl3N4O/c1-13-19(21(29)26-27-10-2-3-11-27)25-20(17-9-6-15(23)12-18(17)24)28(13)16-7-4-14(22)5-8-16/h4-9,12H,2-3,10-11H2,1H3,(H,26,29)
InChIKeyOGHUHFAJQSONNN-UHFFFAOYSA-N
MW449.77 g/mol
LogP5.55
Rot. Bonds4

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

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide (PubChem CID 10216984) has the molecular formula C21H19Cl3N4O and a molecular weight of 449.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide
PubChem CID10216984
Molecular FormulaC21H19Cl3N4O
Molecular Weight449.77 g/mol
Exact Mass448.06
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl3N4O/c1-13-19(21(29)26-27-10-2-3-11-27)25-20(17-9-6-15(23)12-18(17)24)28(13)16-7-4-14(22)5-8-16/h4-9,12H,2-3,10-11H2,1H3,(H,26,29)
InChIKeyOGHUHFAJQSONNN-UHFFFAOYSA-N
XLogP5.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.77
LogP ≤ 55.55
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-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide (CID 10216984) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide is Cc1c(C(=O)NN2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide?
The InChIKey is OGHUHFAJQSONNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl3N4O/c1-13-19(21(29)26-27-10-2-3-11-27)25-20(17-9-6-15(23)12-18(17)24)28(13)16-7-4-14(22)5-8-16/h4-9,12H,2-3,10-11H2,1H3,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide has a molecular weight of 449.77 g/mol, XLogP of 5.55, 4 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-methyl-N-pyrrolidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 10216984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).