ethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate

C19H18Cl2N2O3 — CID 11773769

IUPACethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate
SMILESCCOC(=O)C1(O)CN(c2ccc(Cl)cc2Cl)C(c2ccc(C)cc2)=N1
InChIInChI=1S/C19H18Cl2N2O3/c1-3-26-18(24)19(25)11-23(16-9-8-14(20)10-15(16)21)17(22-19)13-6-4-12(2)5-7-13/h4-10,25H,3,11H2,1-2H3
InChIKeyFTJYZIUHNHQBQN-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.82
Rot. Bonds4

About ethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate

ethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate (PubChem CID 11773769) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is ethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate
PubChem CID11773769
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Nameethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate
SMILESCCOC(=O)C1(O)CN(c2ccc(Cl)cc2Cl)C(c2ccc(C)cc2)=N1
InChIInChI=1S/C19H18Cl2N2O3/c1-3-26-18(24)19(25)11-23(16-9-8-14(20)10-15(16)21)17(22-19)13-6-4-12(2)5-7-13/h4-10,25H,3,11H2,1-2H3
InChIKeyFTJYZIUHNHQBQN-UHFFFAOYSA-N
XLogP3.82
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate?
The IUPAC name of ethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate (CID 11773769) is ethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate is CCOC(=O)C1(O)CN(c2ccc(Cl)cc2Cl)C(c2ccc(C)cc2)=N1.
What is the InChIKey of ethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate?
The InChIKey is FTJYZIUHNHQBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-3-26-18(24)19(25)11-23(16-9-8-14(20)10-15(16)21)17(22-19)13-6-4-12(2)5-7-13/h4-10,25H,3,11H2,1-2H3.
What are the key properties of ethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate?
ethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate has a molecular weight of 393.27 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4-dichlorophenyl)-5-hydroxy-2-(4-methylphenyl)-4H-imidazole-5-carboxylate is sourced from PubChem (CID 11773769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).