(4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol

C19H13ClFN3OS — CID 90320738

IUPAC(4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
SMILESOC(c1ccc(Cl)cc1)c1cc(-c2ccncc2F)sc1-c1ncc[nH]1
InChIInChI=1S/C19H13ClFN3OS/c20-12-3-1-11(2-4-12)17(25)14-9-16(13-5-6-22-10-15(13)21)26-18(14)19-23-7-8-24-19/h1-10,17,25H,(H,23,24)
InChIKeyZLSYQFDAXBRCJK-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.07
Rot. Bonds4

About (4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol

(4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol (PubChem CID 90320738) has the molecular formula C19H13ClFN3OS and a molecular weight of 385.85 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
PubChem CID90320738
Molecular FormulaC19H13ClFN3OS
Molecular Weight385.85 g/mol
Exact Mass385.05
IUPAC Name(4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
SMILESOC(c1ccc(Cl)cc1)c1cc(-c2ccncc2F)sc1-c1ncc[nH]1
InChIInChI=1S/C19H13ClFN3OS/c20-12-3-1-11(2-4-12)17(25)14-9-16(13-5-6-22-10-15(13)21)26-18(14)19-23-7-8-24-19/h1-10,17,25H,(H,23,24)
InChIKeyZLSYQFDAXBRCJK-UHFFFAOYSA-N
XLogP5.07
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol?
The IUPAC name of (4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol (CID 90320738) is (4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol is OC(c1ccc(Cl)cc1)c1cc(-c2ccncc2F)sc1-c1ncc[nH]1.
What is the InChIKey of (4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol?
The InChIKey is ZLSYQFDAXBRCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3OS/c20-12-3-1-11(2-4-12)17(25)14-9-16(13-5-6-22-10-15(13)21)26-18(14)19-23-7-8-24-19/h1-10,17,25H,(H,23,24).
What are the key properties of (4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol?
(4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol has a molecular weight of 385.85 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol is sourced from PubChem (CID 90320738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).