1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol

C14H17FN2OS — CID 114529771

IUPAC1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol
SMILESCn1ccnc1CCC(O)CSc1ccc(F)cc1
InChIInChI=1S/C14H17FN2OS/c1-17-9-8-16-14(17)7-4-12(18)10-19-13-5-2-11(15)3-6-13/h2-3,5-6,8-9,12,18H,4,7,10H2,1H3
InChIKeyXOTPZBRVMYKSQV-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.64
Rot. Bonds6

About 1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol

1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol (PubChem CID 114529771) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol
PubChem CID114529771
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol
SMILESCn1ccnc1CCC(O)CSc1ccc(F)cc1
InChIInChI=1S/C14H17FN2OS/c1-17-9-8-16-14(17)7-4-12(18)10-19-13-5-2-11(15)3-6-13/h2-3,5-6,8-9,12,18H,4,7,10H2,1H3
InChIKeyXOTPZBRVMYKSQV-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529701
[4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine
CID 105228177
1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 106848552
3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol
CID 114529061
1-(4-fluorophenyl)sulfanylheptan-2-ol
CID 66070965
5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol
CID 115838049
4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol
CID 105130936
4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol
CID 114532622
7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106695562
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol (CID 114529771) is 1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol is Cn1ccnc1CCC(O)CSc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol?
The InChIKey is XOTPZBRVMYKSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-17-9-8-16-14(17)7-4-12(18)10-19-13-5-2-11(15)3-6-13/h2-3,5-6,8-9,12,18H,4,7,10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol?
1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-4-(1-methylimidazol-2-yl)butan-2-ol is sourced from PubChem (CID 114529771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).