2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol

C21H22F2N2O3 — CID 50968491

IUPAC2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)n1cnc(-c2ccccc2)c1-c1c(OC)ccc(F)c1F
InChIInChI=1S/C21H22F2N2O3/c1-3-21(11-26,12-27)25-13-24-19(14-7-5-4-6-8-14)20(25)17-16(28-2)10-9-15(22)18(17)23/h4-10,13,26-27H,3,11-12H2,1-2H3
InChIKeyLCNRIEILFXWUMO-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.59
Rot. Bonds7

About 2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol

2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol (PubChem CID 50968491) has the molecular formula C21H22F2N2O3 and a molecular weight of 388.41 g/mol. Its IUPAC name is 2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol
PubChem CID50968491
Molecular FormulaC21H22F2N2O3
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC Name2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)n1cnc(-c2ccccc2)c1-c1c(OC)ccc(F)c1F
InChIInChI=1S/C21H22F2N2O3/c1-3-21(11-26,12-27)25-13-24-19(14-7-5-4-6-8-14)20(25)17-16(28-2)10-9-15(22)18(17)23/h4-10,13,26-27H,3,11-12H2,1-2H3
InChIKeyLCNRIEILFXWUMO-UHFFFAOYSA-N
XLogP3.59
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,5-difluoro-4-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-4-phenylimidazole
CID 50966339
5-(2,6-difluoro-3-methylphenyl)-1-methyl-4-phenylimidazole
CID 50967402
(2S)-4-[5-(2,6-difluoro-3-methylphenyl)-4-phenylimidazol-1-yl]butan-2-ol
CID 95138308
4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole
CID 174688697
5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole
CID 50980699
benzyl 2-(2,3-difluoro-6-methoxyphenyl)-2-methylpropanoate
CID 171833028
2-[5-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-4-phenylimidazol-1-yl]ethanol
CID 50977500
2-[5-(3-chloro-5-fluoro-4-methoxyphenyl)-4-phenylimidazol-1-yl]acetamide
CID 50949156
[4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol
CID 91500100
5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole
CID 95131006
4,5-diphenyl-1-propylimidazole
CID 14950648
2-ethoxy-3-methoxy-5,6-diphenylpyridine
CID 90076394

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol (CID 50968491) is 2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol is CCC(CO)(CO)n1cnc(-c2ccccc2)c1-c1c(OC)ccc(F)c1F.
What is the InChIKey of 2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol?
The InChIKey is LCNRIEILFXWUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O3/c1-3-21(11-26,12-27)25-13-24-19(14-7-5-4-6-8-14)20(25)17-16(28-2)10-9-15(22)18(17)23/h4-10,13,26-27H,3,11-12H2,1-2H3.
What are the key properties of 2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol?
2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol has a molecular weight of 388.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-difluoro-6-methoxyphenyl)-4-phenylimidazol-1-yl]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 50968491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).