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

C19H13ClFN3OS — CID 90320743

IUPAC(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
SMILESOC(c1ccc(Cl)cc1)c1cc(-c2ccnc(F)c2)sc1-c1ncc[nH]1
InChIInChI=1S/C19H13ClFN3OS/c20-13-3-1-11(2-4-13)17(25)14-10-15(12-5-6-22-16(21)9-12)26-18(14)19-23-7-8-24-19/h1-10,17,25H,(H,23,24)
InChIKeyOKFPOCRKARLGGV-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.07
Rot. Bonds4

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

(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol (PubChem CID 90320743) has the molecular formula C19H13ClFN3OS and a molecular weight of 385.85 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
PubChem CID90320743
Molecular FormulaC19H13ClFN3OS
Molecular Weight385.85 g/mol
Exact Mass385.05
IUPAC Name(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
SMILESOC(c1ccc(Cl)cc1)c1cc(-c2ccnc(F)c2)sc1-c1ncc[nH]1
InChIInChI=1S/C19H13ClFN3OS/c20-13-3-1-11(2-4-13)17(25)14-10-15(12-5-6-22-16(21)9-12)26-18(14)19-23-7-8-24-19/h1-10,17,25H,(H,23,24)
InChIKeyOKFPOCRKARLGGV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol?
The IUPAC name of (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol (CID 90320743) is (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol is OC(c1ccc(Cl)cc1)c1cc(-c2ccnc(F)c2)sc1-c1ncc[nH]1.
What is the InChIKey of (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol?
The InChIKey is OKFPOCRKARLGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3OS/c20-13-3-1-11(2-4-13)17(25)14-10-15(12-5-6-22-16(21)9-12)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-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol?
(4-chlorophenyl)-[5-(2-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-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol is sourced from PubChem (CID 90320743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).