[3-[(4-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol

C18H16F2N2OS — CID 7115820

IUPAC[3-[(4-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2cccc(F)c2)n1Cc1ccc(F)cc1
InChIInChI=1S/C18H16F2N2OS/c19-15-6-4-13(5-7-15)10-22-17(11-23)9-21-18(22)24-12-14-2-1-3-16(20)8-14/h1-9,23H,10-12H2
InChIKeyQQLYXZVMDCCWJL-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.99
Rot. Bonds6

About [3-[(4-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol

[3-[(4-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol (PubChem CID 7115820) has the molecular formula C18H16F2N2OS and a molecular weight of 346.40 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
PubChem CID7115820
Molecular FormulaC18H16F2N2OS
Molecular Weight346.40 g/mol
Exact Mass346.10
IUPAC Name[3-[(4-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2cccc(F)c2)n1Cc1ccc(F)cc1
InChIInChI=1S/C18H16F2N2OS/c19-15-6-4-13(5-7-15)10-22-17(11-23)9-21-18(22)24-12-14-2-1-3-16(20)8-14/h1-9,23H,10-12H2
InChIKeyQQLYXZVMDCCWJL-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol (CID 7115820) is [3-[(4-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol is OCc1cnc(SCc2cccc(F)c2)n1Cc1ccc(F)cc1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is QQLYXZVMDCCWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2OS/c19-15-6-4-13(5-7-15)10-22-17(11-23)9-21-18(22)24-12-14-2-1-3-16(20)8-14/h1-9,23H,10-12H2.
What are the key properties of [3-[(4-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol?
[3-[(4-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 346.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 7115820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).