3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol

C19H18F2N2O2 — CID 134376735

IUPAC3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol
SMILESCC(O)Cc1c(-c2cc(F)cc(F)c2)ncn1Cc1cccc(O)c1
InChIInChI=1S/C19H18F2N2O2/c1-12(24)5-18-19(14-7-15(20)9-16(21)8-14)22-11-23(18)10-13-3-2-4-17(25)6-13/h2-4,6-9,11-12,24-25H,5,10H2,1H3
InChIKeyPXPRTVSCVRIUJP-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.51
Rot. Bonds5

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

3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol (PubChem CID 134376735) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol
PubChem CID134376735
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol
SMILESCC(O)Cc1c(-c2cc(F)cc(F)c2)ncn1Cc1cccc(O)c1
InChIInChI=1S/C19H18F2N2O2/c1-12(24)5-18-19(14-7-15(20)9-16(21)8-14)22-11-23(18)10-13-3-2-4-17(25)6-13/h2-4,6-9,11-12,24-25H,5,10H2,1H3
InChIKeyPXPRTVSCVRIUJP-UHFFFAOYSA-N
XLogP3.51
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol (CID 134376735) is 3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol is CC(O)Cc1c(-c2cc(F)cc(F)c2)ncn1Cc1cccc(O)c1.
What is the InChIKey of 3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol?
The InChIKey is PXPRTVSCVRIUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-12(24)5-18-19(14-7-15(20)9-16(21)8-14)22-11-23(18)10-13-3-2-4-17(25)6-13/h2-4,6-9,11-12,24-25H,5,10H2,1H3.
What are the key properties of 3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol?
3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol has a molecular weight of 344.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3,5-difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 134376735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).