(1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol

C18H16F2N2O2 — CID 99822149

IUPAC(1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol
SMILESO[C@H](c1ccccc1)c1nccn1C[C@H](O)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N2O2/c19-13-6-7-14(15(20)10-13)16(23)11-22-9-8-21-18(22)17(24)12-4-2-1-3-5-12/h1-10,16-17,23-24H,11H2/t16-,17+/m0/s1
InChIKeyWJBMVUHBPWMXNZ-DLBZAZTESA-N
MW330.33 g/mol
LogP2.98
Rot. Bonds5

About (1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol

(1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol (PubChem CID 99822149) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is (1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol
PubChem CID99822149
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name(1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol
SMILESO[C@H](c1ccccc1)c1nccn1C[C@H](O)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N2O2/c19-13-6-7-14(15(20)10-13)16(23)11-22-9-8-21-18(22)17(24)12-4-2-1-3-5-12/h1-10,16-17,23-24H,11H2/t16-,17+/m0/s1
InChIKeyWJBMVUHBPWMXNZ-DLBZAZTESA-N
XLogP2.98
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314416
1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol
CID 109411247
1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol
CID 103849674
1-(4-fluoro-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol
CID 109411249
3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyrimidin-4-one
CID 167943855
(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
CID 63976483
1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol
CID 109400824
(S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol
CID 97307465
(S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol
CID 99700063
1-(2,4-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412665
(S)-(4-fluorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]imidazol-2-yl]methanol
CID 99827979
(3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314221

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol?
The IUPAC name of (1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol (CID 99822149) is (1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol?
The canonical SMILES for (1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol is O[C@H](c1ccccc1)c1nccn1C[C@H](O)c1ccc(F)cc1F.
What is the InChIKey of (1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol?
The InChIKey is WJBMVUHBPWMXNZ-DLBZAZTESA-N. The full InChI is InChI=1S/C18H16F2N2O2/c19-13-6-7-14(15(20)10-13)16(23)11-22-9-8-21-18(22)17(24)12-4-2-1-3-5-12/h1-10,16-17,23-24H,11H2/t16-,17+/m0/s1.
What are the key properties of (1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol?
(1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol has a molecular weight of 330.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol is sourced from PubChem (CID 99822149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).