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

C16H15FN2OS2 — CID 46128397

IUPAC[2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2ccccc2F)n1Cc1cccs1
InChIInChI=1S/C16H15FN2OS2/c17-15-6-2-1-4-12(15)11-22-16-18-8-13(10-20)19(16)9-14-5-3-7-21-14/h1-8,20H,9-11H2
InChIKeyDBNYDUHJECWWGE-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.92
Rot. Bonds6

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

[2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol (PubChem CID 46128397) has the molecular formula C16H15FN2OS2 and a molecular weight of 334.44 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol
PubChem CID46128397
Molecular FormulaC16H15FN2OS2
Molecular Weight334.44 g/mol
Exact Mass334.06
IUPAC Name[2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2ccccc2F)n1Cc1cccs1
InChIInChI=1S/C16H15FN2OS2/c17-15-6-2-1-4-12(15)11-22-16-18-8-13(10-20)19(16)9-14-5-3-7-21-14/h1-8,20H,9-11H2
InChIKeyDBNYDUHJECWWGE-UHFFFAOYSA-N
XLogP3.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol?
The IUPAC name of [2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol (CID 46128397) is [2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol.
What is the SMILES notation for [2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol?
The canonical SMILES for [2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol is OCc1cnc(SCc2ccccc2F)n1Cc1cccs1.
What is the InChIKey of [2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol?
The InChIKey is DBNYDUHJECWWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS2/c17-15-6-2-1-4-12(15)11-22-16-18-8-13(10-20)19(16)9-14-5-3-7-21-14/h1-8,20H,9-11H2.
What are the key properties of [2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol?
[2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol has a molecular weight of 334.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol is sourced from PubChem (CID 46128397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).