2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide

C20H18Cl3N3O — CID 11235550

IUPAC2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18Cl3N3O/c1-3-25(4-2)20(27)17-12-26(18-10-9-15(22)11-16(18)23)19(24-17)13-5-7-14(21)8-6-13/h5-12H,3-4H2,1-2H3
InChIKeyWWDOVXBGLHLBKB-UHFFFAOYSA-N
MW422.74 g/mol
LogP5.98
Rot. Bonds5

About 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide (PubChem CID 11235550) has the molecular formula C20H18Cl3N3O and a molecular weight of 422.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide
PubChem CID11235550
Molecular FormulaC20H18Cl3N3O
Molecular Weight422.74 g/mol
Exact Mass421.05
IUPAC Name2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18Cl3N3O/c1-3-25(4-2)20(27)17-12-26(18-10-9-15(22)11-16(18)23)19(24-17)13-5-7-14(21)8-6-13/h5-12H,3-4H2,1-2H3
InChIKeyWWDOVXBGLHLBKB-UHFFFAOYSA-N
XLogP5.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Chlorophenyl)-6-(4-piperidinyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46175113
(1-Benzyl-1h-Imidazol-4-Yl)[4-(2-Chlorophenyl)piperazin-1-Yl]methanone
CID 74983356
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid cyclohexylamide
CID 10195347
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid cycloheptylamide
CID 11306088
(6-(Aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(pyrrolidin-1-yl)methanone
CID 11567606
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
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 10297613
1-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11155520
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid tert-butoxy-amide
CID 11224779
1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-1H-imidazole-4-carboxamide
CID 11247889

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide (CID 11235550) is 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide is CCN(CC)C(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide?
The InChIKey is WWDOVXBGLHLBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl3N3O/c1-3-25(4-2)20(27)17-12-26(18-10-9-15(22)11-16(18)23)19(24-17)13-5-7-14(21)8-6-13/h5-12H,3-4H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide?
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide has a molecular weight of 422.74 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N,N-diethylimidazole-4-carboxamide is sourced from PubChem (CID 11235550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).