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

C20H21FN2O2 — CID 159547466

IUPAC3-[[4-(3-fluoro-5-methylphenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol
SMILESCc1cc(F)cc(-c2ncn(Cc3cccc(O)c3)c2CC(C)O)c1
InChIInChI=1S/C20H21FN2O2/c1-13-6-16(10-17(21)7-13)20-19(8-14(2)24)23(12-22-20)11-15-4-3-5-18(25)9-15/h3-7,9-10,12,14,24-25H,8,11H2,1-2H3
InChIKeyVFMVFJGAPNAAHY-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.67
Rot. Bonds5

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

3-[[4-(3-fluoro-5-methylphenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol (PubChem CID 159547466) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-[[4-(3-fluoro-5-methylphenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-(3-fluoro-5-methylphenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol
PubChem CID159547466
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name3-[[4-(3-fluoro-5-methylphenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol
SMILESCc1cc(F)cc(-c2ncn(Cc3cccc(O)c3)c2CC(C)O)c1
InChIInChI=1S/C20H21FN2O2/c1-13-6-16(10-17(21)7-13)20-19(8-14(2)24)23(12-22-20)11-15-4-3-5-18(25)9-15/h3-7,9-10,12,14,24-25H,8,11H2,1-2H3
InChIKeyVFMVFJGAPNAAHY-UHFFFAOYSA-N
XLogP3.67
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-fluoro-5-methylphenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-(3-fluoro-5-methylphenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol (CID 159547466) is 3-[[4-(3-fluoro-5-methylphenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-(3-fluoro-5-methylphenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-(3-fluoro-5-methylphenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol is Cc1cc(F)cc(-c2ncn(Cc3cccc(O)c3)c2CC(C)O)c1.
What is the InChIKey of 3-[[4-(3-fluoro-5-methylphenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol?
The InChIKey is VFMVFJGAPNAAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13-6-16(10-17(21)7-13)20-19(8-14(2)24)23(12-22-20)11-15-4-3-5-18(25)9-15/h3-7,9-10,12,14,24-25H,8,11H2,1-2H3.
What are the key properties of 3-[[4-(3-fluoro-5-methylphenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol?
3-[[4-(3-fluoro-5-methylphenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol has a molecular weight of 340.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-fluoro-5-methylphenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 159547466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).