3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol

C17H16FN3O2S — CID 140510144

IUPAC3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol
SMILESOCC(O)(S)Cn1cnc(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O2S/c18-14-3-1-13(2-4-14)16-15(12-5-7-19-8-6-12)20-11-21(16)9-17(23,24)10-22/h1-8,11,22-24H,9-10H2
InChIKeyBLPSJUPJOGMMBT-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.36
Rot. Bonds5

About 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol

3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol (PubChem CID 140510144) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol
PubChem CID140510144
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol
SMILESOCC(O)(S)Cn1cnc(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O2S/c18-14-3-1-13(2-4-14)16-15(12-5-7-19-8-6-12)20-11-21(16)9-17(23,24)10-22/h1-8,11,22-24H,9-10H2
InChIKeyBLPSJUPJOGMMBT-UHFFFAOYSA-N
XLogP2.36
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid
CID 67015142
1-ethyl-4,5-bis(4-fluorophenyl)imidazole
CID 56925474
4-[5-(4-fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine
CID 10668078
4-[1-(diethoxymethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
CID 18367505
3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine
CID 174304834
N,N,2,2-tetramethyl-3-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)propan-1-amine
CID 50981837
2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid
CID 70723096
1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol
CID 140737298
N-[[4-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]phenyl]methyl]methanesulfonamide
CID 67598442
4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine
CID 90240870
7-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10133267
1-[5-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone
CID 159015329

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol?
The IUPAC name of 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol (CID 140510144) is 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol?
The canonical SMILES for 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol is OCC(O)(S)Cn1cnc(-c2ccncc2)c1-c1ccc(F)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol?
The InChIKey is BLPSJUPJOGMMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c18-14-3-1-13(2-4-14)16-15(12-5-7-19-8-6-12)20-11-21(16)9-17(23,24)10-22/h1-8,11,22-24H,9-10H2.
What are the key properties of 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol?
3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol has a molecular weight of 345.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol is sourced from PubChem (CID 140510144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).