ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate

C19H16Cl2N2O3 — CID 59863038

IUPACethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(O)cc2)c1C
InChIInChI=1S/C19H16Cl2N2O3/c1-3-26-19(25)17-11(2)23(13-5-7-14(24)8-6-13)18(22-17)15-9-4-12(20)10-16(15)21/h4-10,24H,3H2,1-2H3
InChIKeyHWGKJSQXJYMLQG-UHFFFAOYSA-N
MW391.25 g/mol
LogP5.04
Rot. Bonds4

About ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate

ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate (PubChem CID 59863038) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate
PubChem CID59863038
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Nameethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(O)cc2)c1C
InChIInChI=1S/C19H16Cl2N2O3/c1-3-26-19(25)17-11(2)23(13-5-7-14(24)8-6-13)18(22-17)15-9-4-12(20)10-16(15)21/h4-10,24H,3H2,1-2H3
InChIKeyHWGKJSQXJYMLQG-UHFFFAOYSA-N
XLogP5.04
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.25
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate?
The IUPAC name of ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate (CID 59863038) is ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(O)cc2)c1C.
What is the InChIKey of ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate?
The InChIKey is HWGKJSQXJYMLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-3-26-19(25)17-11(2)23(13-5-7-14(24)8-6-13)18(22-17)15-9-4-12(20)10-16(15)21/h4-10,24H,3H2,1-2H3.
What are the key properties of ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate?
ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate has a molecular weight of 391.25 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate is sourced from PubChem (CID 59863038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).