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

C19H16Cl2N2O3 — CID 11200145

IUPACethyl 1-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(OC)cc2)n1
InChIInChI=1S/C19H16Cl2N2O3/c1-3-26-19(24)16-11-23(17-9-6-13(20)10-15(17)21)18(22-16)12-4-7-14(25-2)8-5-12/h4-11H,3H2,1-2H3
InChIKeyYJQIERGTQRMSJC-UHFFFAOYSA-N
MW391.25 g/mol
LogP5.03
Rot. Bonds5

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

ethyl 1-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)imidazole-4-carboxylate (PubChem CID 11200145) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is ethyl 1-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)imidazole-4-carboxylate
PubChem CID11200145
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Nameethyl 1-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(OC)cc2)n1
InChIInChI=1S/C19H16Cl2N2O3/c1-3-26-19(24)16-11-23(17-9-6-13(20)10-15(17)21)18(22-16)12-4-7-14(25-2)8-5-12/h4-11H,3H2,1-2H3
InChIKeyYJQIERGTQRMSJC-UHFFFAOYSA-N
XLogP5.03
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.25
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 1-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)imidazole-4-carboxylate (CID 11200145) is ethyl 1-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)imidazole-4-carboxylate is CCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(OC)cc2)n1.
What is the InChIKey of ethyl 1-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)imidazole-4-carboxylate?
The InChIKey is YJQIERGTQRMSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-3-26-19(24)16-11-23(17-9-6-13(20)10-15(17)21)18(22-16)12-4-7-14(25-2)8-5-12/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 1-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)imidazole-4-carboxylate?
ethyl 1-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)imidazole-4-carboxylate has a molecular weight of 391.25 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)imidazole-4-carboxylate is sourced from PubChem (CID 11200145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).