ethyl 1-(2,4-dichlorophenyl)-2-phenylimidazole-4-carboxylate

C18H14Cl2N2O2 — CID 11302887

IUPACethyl 1-(2,4-dichlorophenyl)-2-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccccc2)n1
InChIInChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)15-11-22(16-9-8-13(19)10-14(16)20)17(21-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyZOPGLRUIVLIYDQ-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.02
Rot. Bonds4

About ethyl 1-(2,4-dichlorophenyl)-2-phenylimidazole-4-carboxylate

ethyl 1-(2,4-dichlorophenyl)-2-phenylimidazole-4-carboxylate (PubChem CID 11302887) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is ethyl 1-(2,4-dichlorophenyl)-2-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,4-dichlorophenyl)-2-phenylimidazole-4-carboxylate
PubChem CID11302887
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Nameethyl 1-(2,4-dichlorophenyl)-2-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccccc2)n1
InChIInChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)15-11-22(16-9-8-13(19)10-14(16)20)17(21-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyZOPGLRUIVLIYDQ-UHFFFAOYSA-N
XLogP5.02
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4-dichlorophenyl)-2-phenylimidazole-4-carboxylate?
The IUPAC name of ethyl 1-(2,4-dichlorophenyl)-2-phenylimidazole-4-carboxylate (CID 11302887) is ethyl 1-(2,4-dichlorophenyl)-2-phenylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,4-dichlorophenyl)-2-phenylimidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2,4-dichlorophenyl)-2-phenylimidazole-4-carboxylate is CCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccccc2)n1.
What is the InChIKey of ethyl 1-(2,4-dichlorophenyl)-2-phenylimidazole-4-carboxylate?
The InChIKey is ZOPGLRUIVLIYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-2-24-18(23)15-11-22(16-9-8-13(19)10-14(16)20)17(21-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 1-(2,4-dichlorophenyl)-2-phenylimidazole-4-carboxylate?
ethyl 1-(2,4-dichlorophenyl)-2-phenylimidazole-4-carboxylate has a molecular weight of 361.23 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,4-dichlorophenyl)-2-phenylimidazole-4-carboxylate is sourced from PubChem (CID 11302887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).