4-fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol

C19H19FN2O2 — CID 134377075

IUPAC4-fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol
SMILESCC(O)Cc1c(-c2ccccc2)ncn1Cc1cc(O)ccc1F
InChIInChI=1S/C19H19FN2O2/c1-13(23)9-18-19(14-5-3-2-4-6-14)21-12-22(18)11-15-10-16(24)7-8-17(15)20/h2-8,10,12-13,23-24H,9,11H2,1H3
InChIKeyCQDBIUKIUJEMHM-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.37
Rot. Bonds5

About 4-fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol

4-fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol (PubChem CID 134377075) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol
PubChem CID134377075
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name4-fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol
SMILESCC(O)Cc1c(-c2ccccc2)ncn1Cc1cc(O)ccc1F
InChIInChI=1S/C19H19FN2O2/c1-13(23)9-18-19(14-5-3-2-4-6-14)21-12-22(18)11-15-10-16(24)7-8-17(15)20/h2-8,10,12-13,23-24H,9,11H2,1H3
InChIKeyCQDBIUKIUJEMHM-UHFFFAOYSA-N
XLogP3.37
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol?
The IUPAC name of 4-fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol (CID 134377075) is 4-fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol.
What is the SMILES notation for 4-fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol?
The canonical SMILES for 4-fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol is CC(O)Cc1c(-c2ccccc2)ncn1Cc1cc(O)ccc1F.
What is the InChIKey of 4-fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol?
The InChIKey is CQDBIUKIUJEMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13(23)9-18-19(14-5-3-2-4-6-14)21-12-22(18)11-15-10-16(24)7-8-17(15)20/h2-8,10,12-13,23-24H,9,11H2,1H3.
What are the key properties of 4-fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol?
4-fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol has a molecular weight of 326.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol is sourced from PubChem (CID 134377075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).