ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate

C18H13Cl3N2O2 — CID 11463589

IUPACethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H13Cl3N2O2/c1-2-25-18(24)16-10-23(13-6-3-11(19)4-7-13)17(22-16)14-8-5-12(20)9-15(14)21/h3-10H,2H2,1H3
InChIKeyUZYBCYPTBNXRLH-UHFFFAOYSA-N
MW395.67 g/mol
LogP5.68
Rot. Bonds4

About ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate

ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate (PubChem CID 11463589) has the molecular formula C18H13Cl3N2O2 and a molecular weight of 395.67 g/mol. Its IUPAC name is ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate
PubChem CID11463589
Molecular FormulaC18H13Cl3N2O2
Molecular Weight395.67 g/mol
Exact Mass394.00
IUPAC Nameethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H13Cl3N2O2/c1-2-25-18(24)16-10-23(13-6-3-11(19)4-7-13)17(22-16)14-8-5-12(20)9-15(14)21/h3-10H,2H2,1H3
InChIKeyUZYBCYPTBNXRLH-UHFFFAOYSA-N
XLogP5.68
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-1-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]ethanone
CID 86592993
ethyl 1-(3-chlorophenyl)-2-(2-fluorophenyl)imidazole-4-carboxylate
CID 67032137
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide
CID 163957647
ethyl 1-(4-chlorophenyl)-2-[(Z)-pent-3-en-2-yl]imidazole-4-carboxylate
CID 142955007
ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate
CID 59863038
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide
CID 11432444
ethyl 1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)imidazole-4-carboxylate
CID 67297106
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide
CID 155116204
ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 139926661
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide
CID 10300161
ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 58170089
ethyl 6,8-dichloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 90484321

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate (CID 11463589) is ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate is CCOC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The InChIKey is UZYBCYPTBNXRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O2/c1-2-25-18(24)16-10-23(13-6-3-11(19)4-7-13)17(22-16)14-8-5-12(20)9-15(14)21/h3-10H,2H2,1H3.
What are the key properties of ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate?
ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate has a molecular weight of 395.67 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 11463589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).