5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole

C24H20ClFN2O2 — CID 58510067

IUPAC5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole
SMILESCOc1cc(OCc2ccc(Cl)cc2F)ccc1-c1cnc(-c2cccc(C)c2)[nH]1
InChIInChI=1S/C24H20ClFN2O2/c1-15-4-3-5-16(10-15)24-27-13-22(28-24)20-9-8-19(12-23(20)29-2)30-14-17-6-7-18(25)11-21(17)26/h3-13H,14H2,1-2H3,(H,27,28)
InChIKeyFYNIKKOCGLMDAI-UHFFFAOYSA-N
MW422.89 g/mol
LogP6.43
Rot. Bonds6

About 5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole

5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole (PubChem CID 58510067) has the molecular formula C24H20ClFN2O2 and a molecular weight of 422.89 g/mol. Its IUPAC name is 5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole.

Molecular Properties

Compound Name5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole
PubChem CID58510067
Molecular FormulaC24H20ClFN2O2
Molecular Weight422.89 g/mol
Exact Mass422.12
IUPAC Name5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole
SMILESCOc1cc(OCc2ccc(Cl)cc2F)ccc1-c1cnc(-c2cccc(C)c2)[nH]1
InChIInChI=1S/C24H20ClFN2O2/c1-15-4-3-5-16(10-15)24-27-13-22(28-24)20-9-8-19(12-23(20)29-2)30-14-17-6-7-18(25)11-21(17)26/h3-13H,14H2,1-2H3,(H,27,28)
InChIKeyFYNIKKOCGLMDAI-UHFFFAOYSA-N
XLogP6.43
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.89
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole?
The IUPAC name of 5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole (CID 58510067) is 5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole.
What is the SMILES notation for 5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole?
The canonical SMILES for 5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole is COc1cc(OCc2ccc(Cl)cc2F)ccc1-c1cnc(-c2cccc(C)c2)[nH]1.
What is the InChIKey of 5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole?
The InChIKey is FYNIKKOCGLMDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2O2/c1-15-4-3-5-16(10-15)24-27-13-22(28-24)20-9-8-19(12-23(20)29-2)30-14-17-6-7-18(25)11-21(17)26/h3-13H,14H2,1-2H3,(H,27,28).
What are the key properties of 5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole?
5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole has a molecular weight of 422.89 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole is sourced from PubChem (CID 58510067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).