ethyl 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)imidazole-4-carboxylate

C18H13Cl3N2O2 — CID 11349974

IUPACethyl 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H13Cl3N2O2/c1-2-25-18(24)16-10-23(13-7-8-14(20)15(21)9-13)17(22-16)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3
InChIKeyIIEKRGYJDRVDEJ-UHFFFAOYSA-N
MW395.67 g/mol
LogP5.68
Rot. Bonds4

About ethyl 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)imidazole-4-carboxylate

ethyl 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)imidazole-4-carboxylate (PubChem CID 11349974) has the molecular formula C18H13Cl3N2O2 and a molecular weight of 395.67 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)imidazole-4-carboxylate
PubChem CID11349974
Molecular FormulaC18H13Cl3N2O2
Molecular Weight395.67 g/mol
Exact Mass394.00
IUPAC Nameethyl 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H13Cl3N2O2/c1-2-25-18(24)16-10-23(13-7-8-14(20)15(21)9-13)17(22-16)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3
InChIKeyIIEKRGYJDRVDEJ-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

ethyl 2-(4-bromophenyl)-1-(2,4-dichlorophenyl)-1H-4-imidazolecarboxylate
CID 11408035
2-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 11463590
1-(2,4-Dichloro-phenyl)-2-(4-iodo-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 11190972
1-(2,4-Dichloro-phenyl)-2-p-tolyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11337823
ethyl 8-chloro-6-(4-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 53465679
2-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid propyl ester
CID 11751392
1,2-Diphenyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11098320
1-(3-Chloro-phenyl)-2-phenyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11347980
2-(4-Chloro-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 11795549
[18F]Ceto
CID 171390277
2-(4-Amino-phenyl)-1-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid ethyl ester
CID 11188040
2-(4-Chloro-phenyl)-1-phenyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 11232659

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)imidazole-4-carboxylate (CID 11349974) is ethyl 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)imidazole-4-carboxylate is CCOC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)imidazole-4-carboxylate?
The InChIKey is IIEKRGYJDRVDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O2/c1-2-25-18(24)16-10-23(13-7-8-14(20)15(21)9-13)17(22-16)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)imidazole-4-carboxylate?
ethyl 2-(4-chlorophenyl)-1-(3,4-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 2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 11349974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).