4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]phenol

C20H15FN4OS — CID 136987005

IUPAC4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]phenol
SMILESCSc1nccc(-c2[nH]c(-c3ccc(O)cc3)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C20H15FN4OS/c1-27-20-22-11-10-16(23-20)18-17(12-2-6-14(21)7-3-12)24-19(25-18)13-4-8-15(26)9-5-13/h2-11,26H,1H3,(H,24,25)
InChIKeyJEZWGJUZMFFAHM-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.77
Rot. Bonds4

About 4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]phenol

4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]phenol (PubChem CID 136987005) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]phenol
PubChem CID136987005
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]phenol
SMILESCSc1nccc(-c2[nH]c(-c3ccc(O)cc3)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C20H15FN4OS/c1-27-20-22-11-10-16(23-20)18-17(12-2-6-14(21)7-3-12)24-19(25-18)13-4-8-15(26)9-5-13/h2-11,26H,1H3,(H,24,25)
InChIKeyJEZWGJUZMFFAHM-UHFFFAOYSA-N
XLogP4.77
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]phenol?
The IUPAC name of 4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]phenol (CID 136987005) is 4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]phenol?
The canonical SMILES for 4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]phenol is CSc1nccc(-c2[nH]c(-c3ccc(O)cc3)nc2-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]phenol?
The InChIKey is JEZWGJUZMFFAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c1-27-20-22-11-10-16(23-20)18-17(12-2-6-14(21)7-3-12)24-19(25-18)13-4-8-15(26)9-5-13/h2-11,26H,1H3,(H,24,25).
What are the key properties of 4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]phenol?
4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]phenol has a molecular weight of 378.43 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 136987005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).