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

C18H13Cl3N2O2 — CID 11463590

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

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

ethyl 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate (PubChem CID 11463590) has the molecular formula C18H13Cl3N2O2 and a molecular weight of 395.67 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate
PubChem CID11463590
Molecular FormulaC18H13Cl3N2O2
Molecular Weight395.67 g/mol
Exact Mass394.00
IUPAC Nameethyl 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H13Cl3N2O2/c1-2-25-18(24)15-10-23(16-8-7-13(20)9-14(16)21)17(22-15)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3
InChIKeyQHFZEXZBGBLPFZ-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate (CID 11463590) is ethyl 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate is CCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
The InChIKey is QHFZEXZBGBLPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O2/c1-2-25-18(24)15-10-23(16-8-7-13(20)9-14(16)21)17(22-15)11-3-5-12(19)6-4-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate?
ethyl 2-(4-chlorophenyl)-1-(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 2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 11463590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).