1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methylimidazole-4-carboxamide

C21H20Cl3N3O — CID 11189799

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methylimidazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C21H20Cl3N3O/c1-4-26(5-2)21(28)19-13(3)27(16-9-6-14(22)7-10-16)20(25-19)17-11-8-15(23)12-18(17)24/h6-12H,4-5H2,1-3H3
InChIKeyMVVWQUKKYBOCHH-UHFFFAOYSA-N
MW436.77 g/mol
LogP6.29
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methylimidazole-4-carboxamide

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methylimidazole-4-carboxamide (PubChem CID 11189799) has the molecular formula C21H20Cl3N3O and a molecular weight of 436.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methylimidazole-4-carboxamide
PubChem CID11189799
Molecular FormulaC21H20Cl3N3O
Molecular Weight436.77 g/mol
Exact Mass435.07
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methylimidazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C21H20Cl3N3O/c1-4-26(5-2)21(28)19-13(3)27(16-9-6-14(22)7-10-16)20(25-19)17-11-8-15(23)12-18(17)24/h6-12H,4-5H2,1-3H3
InChIKeyMVVWQUKKYBOCHH-UHFFFAOYSA-N
XLogP6.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenyl)-2-(2-chlorophenyl)-5-ethyl-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 10114327
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid cyclohexylamide
CID 10195347
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethyl-N-((1S,2S)-2-hydroxycyclohexyl)-1H-imidazole-4-carboxamide
CID 10276190
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid cycloheptylamide
CID 11306088
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-ethyl-1H-imidazole-4-carboxylic acid piperidin-1-ylamide
CID 11408950
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid (hexahydro-cyclopenta[c]pyrrol-2-yl)-amide
CID 21949023
N-(2-bicyclo[2.2.1]heptanyl)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide
CID 21949054
6-(2,4-dichlorophenyl)-1-methyl-7H-imidazo[1,5-a]pyrazin-8-one
CID 2821943
6-Chloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridine-3-carboxylic acid dipropylamide
CID 10762959
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid cyclopentylamide
CID 10127496
3-(2,4-Dichloro-phenyl)-8-ethyl-1-methyl-7-(2-methyl-benzyl)-1,2,3,7-tetrahydro-purin-6-one
CID 10137474
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1S,2S)-2-hydroxycyclohexyl)-5-propyl-1H-imidazole-4-carboxamide
CID 10140173

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methylimidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methylimidazole-4-carboxamide (CID 11189799) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methylimidazole-4-carboxamide is CCN(CC)C(=O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methylimidazole-4-carboxamide?
The InChIKey is MVVWQUKKYBOCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl3N3O/c1-4-26(5-2)21(28)19-13(3)27(16-9-6-14(22)7-10-16)20(25-19)17-11-8-15(23)12-18(17)24/h6-12H,4-5H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methylimidazole-4-carboxamide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methylimidazole-4-carboxamide has a molecular weight of 436.77 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-5-methylimidazole-4-carboxamide is sourced from PubChem (CID 11189799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).