4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol

C13H15FN2OS — CID 166188173

IUPAC4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol
SMILESOCCCCSc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C13H15FN2OS/c14-11-5-3-10(4-6-11)12-9-15-13(16-12)18-8-2-1-7-17/h3-6,9,17H,1-2,7-8H2,(H,15,16)
InChIKeyAMZSZNBGWDCLLL-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.08
Rot. Bonds6

About 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol

4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol (PubChem CID 166188173) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol
PubChem CID166188173
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol
SMILESOCCCCSc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C13H15FN2OS/c14-11-5-3-10(4-6-11)12-9-15-13(16-12)18-8-2-1-7-17/h3-6,9,17H,1-2,7-8H2,(H,15,16)
InChIKeyAMZSZNBGWDCLLL-UHFFFAOYSA-N
XLogP3.08
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol?
The IUPAC name of 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol (CID 166188173) is 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol is OCCCCSc1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol?
The InChIKey is AMZSZNBGWDCLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c14-11-5-3-10(4-6-11)12-9-15-13(16-12)18-8-2-1-7-17/h3-6,9,17H,1-2,7-8H2,(H,15,16).
What are the key properties of 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol?
4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]butan-1-ol is sourced from PubChem (CID 166188173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).