5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole

C24H19F3N2O2 — CID 58510131

IUPAC5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
SMILESCOc1cc(OCc2ccccc2)ccc1-c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C24H19F3N2O2/c1-30-22-13-19(31-15-16-5-3-2-4-6-16)11-12-20(22)21-14-28-23(29-21)17-7-9-18(10-8-17)24(25,26)27/h2-14H,15H2,1H3,(H,28,29)
InChIKeyAYHVGRZGXWGMEU-UHFFFAOYSA-N
MW424.42 g/mol
LogP6.35
Rot. Bonds6

About 5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole

5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole (PubChem CID 58510131) has the molecular formula C24H19F3N2O2 and a molecular weight of 424.42 g/mol. Its IUPAC name is 5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
PubChem CID58510131
Molecular FormulaC24H19F3N2O2
Molecular Weight424.42 g/mol
Exact Mass424.14
IUPAC Name5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
SMILESCOc1cc(OCc2ccccc2)ccc1-c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C24H19F3N2O2/c1-30-22-13-19(31-15-16-5-3-2-4-6-16)11-12-20(22)21-14-28-23(29-21)17-7-9-18(10-8-17)24(25,26)27/h2-14H,15H2,1H3,(H,28,29)
InChIKeyAYHVGRZGXWGMEU-UHFFFAOYSA-N
XLogP6.35
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole?
The IUPAC name of 5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole (CID 58510131) is 5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole.
What is the SMILES notation for 5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole?
The canonical SMILES for 5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole is COc1cc(OCc2ccccc2)ccc1-c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole?
The InChIKey is AYHVGRZGXWGMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O2/c1-30-22-13-19(31-15-16-5-3-2-4-6-16)11-12-20(22)21-14-28-23(29-21)17-7-9-18(10-8-17)24(25,26)27/h2-14H,15H2,1H3,(H,28,29).
What are the key properties of 5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole?
5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole has a molecular weight of 424.42 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole is sourced from PubChem (CID 58510131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).