ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate

C20H20N2O3 — CID 132502510

IUPACethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2)n1-c1ccc(OC)cc1
InChIInChI=1S/C20H20N2O3/c1-4-25-20(23)18-14(2)21-19(15-8-6-5-7-9-15)22(18)16-10-12-17(24-3)13-11-16/h5-13H,4H2,1-3H3
InChIKeyAEPPCLBEKMFDOQ-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.03
Rot. Bonds5

About ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate

ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate (PubChem CID 132502510) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
PubChem CID132502510
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Nameethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2)n1-c1ccc(OC)cc1
InChIInChI=1S/C20H20N2O3/c1-4-25-20(23)18-14(2)21-19(15-8-6-5-7-9-15)22(18)16-10-12-17(24-3)13-11-16/h5-13H,4H2,1-3H3
InChIKeyAEPPCLBEKMFDOQ-UHFFFAOYSA-N
XLogP4.03
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate?
The IUPAC name of ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate (CID 132502510) is ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate?
The canonical SMILES for ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate is CCOC(=O)c1c(C)nc(-c2ccccc2)n1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate?
The InChIKey is AEPPCLBEKMFDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-4-25-20(23)18-14(2)21-19(15-8-6-5-7-9-15)22(18)16-10-12-17(24-3)13-11-16/h5-13H,4H2,1-3H3.
What are the key properties of ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate?
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate is sourced from PubChem (CID 132502510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).