ethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate

C26H24N2O4 — CID 171365941

IUPACethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2)n1OCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H24N2O4/c1-3-30-26(29)24-19(2)27-25(21-10-6-4-7-11-21)28(24)31-18-20-14-16-23(17-15-20)32-22-12-8-5-9-13-22/h4-17H,3,18H2,1-2H3
InChIKeyVZJQCJGAYAUPFL-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.46
Rot. Bonds8

About ethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate

ethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate (PubChem CID 171365941) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is ethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate
PubChem CID171365941
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Nameethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2ccccc2)n1OCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H24N2O4/c1-3-30-26(29)24-19(2)27-25(21-10-6-4-7-11-21)28(24)31-18-20-14-16-23(17-15-20)32-22-12-8-5-9-13-22/h4-17H,3,18H2,1-2H3
InChIKeyVZJQCJGAYAUPFL-UHFFFAOYSA-N
XLogP5.46
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate (CID 171365941) is ethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate is CCOC(=O)c1c(C)nc(-c2ccccc2)n1OCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate?
The InChIKey is VZJQCJGAYAUPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-3-30-26(29)24-19(2)27-25(21-10-6-4-7-11-21)28(24)31-18-20-14-16-23(17-15-20)32-22-12-8-5-9-13-22/h4-17H,3,18H2,1-2H3.
What are the key properties of ethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate?
ethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate has a molecular weight of 428.49 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-[(4-phenoxyphenyl)methoxy]-2-phenylimidazole-4-carboxylate is sourced from PubChem (CID 171365941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).