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

C21H19Cl3N4O2 — CID 10195397

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-morpholin-4-ylimidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCOCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl3N4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-20(17-7-4-15(23)12-18(17)24)28(13)16-5-2-14(22)3-6-16/h2-7,12H,8-11H2,1H3,(H,26,29)
InChIKeyGJJWPAHIGGXADY-UHFFFAOYSA-N
MW465.77 g/mol
LogP4.78
Rot. Bonds4

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

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-morpholin-4-ylimidazole-4-carboxamide (PubChem CID 10195397) has the molecular formula C21H19Cl3N4O2 and a molecular weight of 465.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-morpholin-4-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-morpholin-4-ylimidazole-4-carboxamide
PubChem CID10195397
Molecular FormulaC21H19Cl3N4O2
Molecular Weight465.77 g/mol
Exact Mass464.06
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-morpholin-4-ylimidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCOCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl3N4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-20(17-7-4-15(23)12-18(17)24)28(13)16-5-2-14(22)3-6-16/h2-7,12H,8-11H2,1H3,(H,26,29)
InChIKeyGJJWPAHIGGXADY-UHFFFAOYSA-N
XLogP4.78
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.77
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-morpholin-4-ylimidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-morpholin-4-ylimidazole-4-carboxamide (CID 10195397) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-morpholin-4-ylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-morpholin-4-ylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-morpholin-4-ylimidazole-4-carboxamide is Cc1c(C(=O)NN2CCOCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-morpholin-4-ylimidazole-4-carboxamide?
The InChIKey is GJJWPAHIGGXADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl3N4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-20(17-7-4-15(23)12-18(17)24)28(13)16-5-2-14(22)3-6-16/h2-7,12H,8-11H2,1H3,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-morpholin-4-ylimidazole-4-carboxamide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-morpholin-4-ylimidazole-4-carboxamide has a molecular weight of 465.77 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-morpholin-4-ylimidazole-4-carboxamide is sourced from PubChem (CID 10195397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).