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

C18H12ClFN4OS — CID 90320762

IUPAC(4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
SMILESOC(c1ccc(Cl)cc1)c1cc(-c2ncncc2F)sc1-c1ncc[nH]1
InChIInChI=1S/C18H12ClFN4OS/c19-11-3-1-10(2-4-11)16(25)12-7-14(15-13(20)8-21-9-24-15)26-17(12)18-22-5-6-23-18/h1-9,16,25H,(H,22,23)
InChIKeyVGXJCYJXHUSAQL-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.47
Rot. Bonds4

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

(4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol (PubChem CID 90320762) has the molecular formula C18H12ClFN4OS and a molecular weight of 386.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
PubChem CID90320762
Molecular FormulaC18H12ClFN4OS
Molecular Weight386.84 g/mol
Exact Mass386.04
IUPAC Name(4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
SMILESOC(c1ccc(Cl)cc1)c1cc(-c2ncncc2F)sc1-c1ncc[nH]1
InChIInChI=1S/C18H12ClFN4OS/c19-11-3-1-10(2-4-11)16(25)12-7-14(15-13(20)8-21-9-24-15)26-17(12)18-22-5-6-23-18/h1-9,16,25H,(H,22,23)
InChIKeyVGXJCYJXHUSAQL-UHFFFAOYSA-N
XLogP4.47
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol
CID 68095951
[2-[2-(5-Chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol
CID 68639208
4-[5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-N-(2-phenylethyl)pyrimidin-2-amine
CID 70103445
(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
(4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
CID 90320738
(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol
CID 90320743
(4-chloro-2-fluoro-5-methoxyphenyl)-[2-(1H-imidazol-2-yl)-5-(2-methyl-4-pyridinyl)thiophen-3-yl]methanol
CID 90320804
(4-chlorophenyl)-[2-(5-ethyl-1H-imidazol-2-yl)-5-(2-fluoro-4-pyridinyl)thiophen-3-yl]methanol
CID 123497112
(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(5-methyl-1H-imidazol-2-yl)thiophen-3-yl]methanol
CID 144331704
N,N'-diamino-N-[4-chloro-2-[6-[[5-[4-fluoro-5-(hydroxymethyl)thiophen-3-yl]-1H-imidazol-2-yl]-hydroxymethyl]-1-hydroxy-5-propylpyridin-1-ium-3-yl]phenyl]methanimidamide
CID 145170460
N-[[4-[5-[(1S)-1-(4-fluorophenyl)-1-hydroxyethyl]pyrimidin-2-yl]piperazin-1-yl]-[4-(5-methylthiophen-2-yl)-1H-pyrrol-2-yl]methylidene]methanimidamide
CID 168130720

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol?
The IUPAC name of (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol (CID 90320762) is (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol is OC(c1ccc(Cl)cc1)c1cc(-c2ncncc2F)sc1-c1ncc[nH]1.
What is the InChIKey of (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol?
The InChIKey is VGXJCYJXHUSAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4OS/c19-11-3-1-10(2-4-11)16(25)12-7-14(15-13(20)8-21-9-24-15)26-17(12)18-22-5-6-23-18/h1-9,16,25H,(H,22,23).
What are the key properties of (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol?
(4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol has a molecular weight of 386.84 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(5-fluoropyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol is sourced from PubChem (CID 90320762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).