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

C18H16ClFN2OS — CID 22576297

IUPAC[3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2c(F)cccc2Cl)n1Cc1ccccc1
InChIInChI=1S/C18H16ClFN2OS/c19-16-7-4-8-17(20)15(16)12-24-18-21-9-14(11-23)22(18)10-13-5-2-1-3-6-13/h1-9,23H,10-12H2
InChIKeyQBYRESQSCOEGLX-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.51
Rot. Bonds6

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

[3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol (PubChem CID 22576297) has the molecular formula C18H16ClFN2OS and a molecular weight of 362.86 g/mol. Its IUPAC name is [3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
PubChem CID22576297
Molecular FormulaC18H16ClFN2OS
Molecular Weight362.86 g/mol
Exact Mass362.07
IUPAC Name[3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2c(F)cccc2Cl)n1Cc1ccccc1
InChIInChI=1S/C18H16ClFN2OS/c19-16-7-4-8-17(20)15(16)12-24-18-21-9-14(11-23)22(18)10-13-5-2-1-3-6-13/h1-9,23H,10-12H2
InChIKeyQBYRESQSCOEGLX-UHFFFAOYSA-N
XLogP4.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol (CID 22576297) is [3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol is OCc1cnc(SCc2c(F)cccc2Cl)n1Cc1ccccc1.
What is the InChIKey of [3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is QBYRESQSCOEGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2OS/c19-16-7-4-8-17(20)15(16)12-24-18-21-9-14(11-23)22(18)10-13-5-2-1-3-6-13/h1-9,23H,10-12H2.
What are the key properties of [3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol?
[3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 362.86 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 22576297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).