2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol

C14H17FN2OS — CID 66070414

IUPAC2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1C(O)CSc1cccc(F)c1
InChIInChI=1S/C14H17FN2OS/c1-2-7-17-8-6-16-14(17)13(18)10-19-12-5-3-4-11(15)9-12/h3-6,8-9,13,18H,2,7,10H2,1H3
InChIKeyOXJMNQIIUMDXQB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.26
Rot. Bonds6

About 2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol

2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol (PubChem CID 66070414) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol
PubChem CID66070414
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1C(O)CSc1cccc(F)c1
InChIInChI=1S/C14H17FN2OS/c1-2-7-17-8-6-16-14(17)13(18)10-19-12-5-3-4-11(15)9-12/h3-6,8-9,13,18H,2,7,10H2,1H3
InChIKeyOXJMNQIIUMDXQB-UHFFFAOYSA-N
XLogP3.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744778
2-(4-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
CID 66070569
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
CID 63976483
2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
CID 66271190
2-(3-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanol
CID 66070411
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3-fluorophenyl)sulfanylethanol
CID 114644222
1-(1-propylimidazol-2-yl)-2-pyridin-2-ylethanol
CID 63977142
(1-propylimidazol-2-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 63976478
2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66071238
(3-methoxyphenyl)-(1-propylimidazol-2-yl)methanol
CID 61317073
2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
CID 66052890

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol (CID 66070414) is 2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol is CCCn1ccnc1C(O)CSc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol?
The InChIKey is OXJMNQIIUMDXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-2-7-17-8-6-16-14(17)13(18)10-19-12-5-3-4-11(15)9-12/h3-6,8-9,13,18H,2,7,10H2,1H3.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol?
2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol has a molecular weight of 280.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanol is sourced from PubChem (CID 66070414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).