[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol

C18H15ClF2N2OS — CID 22576368

IUPAC[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2c(F)cccc2Cl)n1Cc1ccc(F)cc1
InChIInChI=1S/C18H15ClF2N2OS/c19-16-2-1-3-17(21)15(16)11-25-18-22-8-14(10-24)23(18)9-12-4-6-13(20)7-5-12/h1-8,24H,9-11H2
InChIKeyXVTDJWDEISRETH-UHFFFAOYSA-N
MW380.85 g/mol
LogP4.65
Rot. Bonds6

About [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol

[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol (PubChem CID 22576368) has the molecular formula C18H15ClF2N2OS and a molecular weight of 380.85 g/mol. Its IUPAC name is [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol
PubChem CID22576368
Molecular FormulaC18H15ClF2N2OS
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2c(F)cccc2Cl)n1Cc1ccc(F)cc1
InChIInChI=1S/C18H15ClF2N2OS/c19-16-2-1-3-17(21)15(16)11-25-18-22-8-14(10-24)23(18)9-12-4-6-13(20)7-5-12/h1-8,24H,9-11H2
InChIKeyXVTDJWDEISRETH-UHFFFAOYSA-N
XLogP4.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol?
The IUPAC name of [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol (CID 22576368) is [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol is OCc1cnc(SCc2c(F)cccc2Cl)n1Cc1ccc(F)cc1.
What is the InChIKey of [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol?
The InChIKey is XVTDJWDEISRETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2OS/c19-16-2-1-3-17(21)15(16)11-25-18-22-8-14(10-24)23(18)9-12-4-6-13(20)7-5-12/h1-8,24H,9-11H2.
What are the key properties of [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol?
[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol has a molecular weight of 380.85 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 22576368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).