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

C18H17FN2OS — CID 22576301

IUPAC[3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2ccccc2F)n1Cc1ccccc1
InChIInChI=1S/C18H17FN2OS/c19-17-9-5-4-8-15(17)13-23-18-20-10-16(12-22)21(18)11-14-6-2-1-3-7-14/h1-10,22H,11-13H2
InChIKeyOFNVQPUHOQAALE-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.86
Rot. Bonds6

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

[3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol (PubChem CID 22576301) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is [3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
PubChem CID22576301
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name[3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2ccccc2F)n1Cc1ccccc1
InChIInChI=1S/C18H17FN2OS/c19-17-9-5-4-8-15(17)13-23-18-20-10-16(12-22)21(18)11-14-6-2-1-3-7-14/h1-10,22H,11-13H2
InChIKeyOFNVQPUHOQAALE-UHFFFAOYSA-N
XLogP3.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 7298786
[2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol
CID 46128397
2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile
CID 42795331
3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile
CID 24715652
[3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol
CID 22576278
[3-[(2-fluorophenyl)methyl]-2-prop-2-ynylsulfanylimidazol-4-yl]methanol
CID 24715294
2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 18570982
[2-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-4-ylmethyl)imidazol-4-yl]methanol
CID 42797026
[2-[(2,5-dimethylphenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol
CID 18589634
[3-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 22576484
[3-[(4-methylphenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 22576195
methyl 3-[[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzoate
CID 42795475

Frequently Asked Questions

What is the IUPAC name of [3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol (CID 22576301) is [3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol is OCc1cnc(SCc2ccccc2F)n1Cc1ccccc1.
What is the InChIKey of [3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is OFNVQPUHOQAALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS/c19-17-9-5-4-8-15(17)13-23-18-20-10-16(12-22)21(18)11-14-6-2-1-3-7-14/h1-10,22H,11-13H2.
What are the key properties of [3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol?
[3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 328.41 g/mol, XLogP of 3.86, 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-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 22576301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).