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

C21H17ClFN3OS — CID 123497112

IUPAC(4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol
SMILESCCc1cnc(-c2sc(-c3ccnc(F)c3)cc2C(O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C21H17ClFN3OS/c1-2-15-11-25-21(26-15)20-16(19(27)12-3-5-14(22)6-4-12)10-17(28-20)13-7-8-24-18(23)9-13/h3-11,19,27H,2H2,1H3,(H,25,26)
InChIKeyPFIJJTVNQGELPF-UHFFFAOYSA-N
MW413.91 g/mol
LogP5.64
Rot. Bonds5

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

(4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol (PubChem CID 123497112) has the molecular formula C21H17ClFN3OS and a molecular weight of 413.91 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol
PubChem CID123497112
Molecular FormulaC21H17ClFN3OS
Molecular Weight413.91 g/mol
Exact Mass413.08
IUPAC Name(4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol
SMILESCCc1cnc(-c2sc(-c3ccnc(F)c3)cc2C(O)c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C21H17ClFN3OS/c1-2-15-11-25-21(26-15)20-16(19(27)12-3-5-14(22)6-4-12)10-17(28-20)13-7-8-24-18(23)9-13/h3-11,19,27H,2H2,1H3,(H,25,26)
InChIKeyPFIJJTVNQGELPF-UHFFFAOYSA-N
XLogP5.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol 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-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[5-(5-fluoro-2-pyridinyl)thiophen-2-yl]propan-2-ol
CID 59161997
(4-chlorophenyl)[5-(2-fluoropyridin-4-yl)-2-(4H-1,2,4-triazol-3-yl)-3-thienyl]methanol
CID 66749334
(4-chloro-3-fluorophenyl)-[5-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol
CID 68095500
(2-chloro-6-fluorophenyl)-[5-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol
CID 68095507
(4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol
CID 68100281
(S)-(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol
CID 68100284
(R)-(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol
CID 68100294
(2-chloro-4-fluorophenyl)-[5-pyridin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol
CID 68100396
[2-[2-(5-Chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol
CID 68639208
[3-[2-(5-Chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
CID 68640382
(R)-(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
CID 90320733
(S)-(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
CID 90320735

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol?
The IUPAC name of (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol (CID 123497112) is (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol is CCc1cnc(-c2sc(-c3ccnc(F)c3)cc2C(O)c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol?
The InChIKey is PFIJJTVNQGELPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3OS/c1-2-15-11-25-21(26-15)20-16(19(27)12-3-5-14(22)6-4-12)10-17(28-20)13-7-8-24-18(23)9-13/h3-11,19,27H,2H2,1H3,(H,25,26).
What are the key properties of (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol?
(4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol has a molecular weight of 413.91 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol is sourced from PubChem (CID 123497112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).