1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole

C16H19FN2O2 — CID 146042373

IUPAC1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole
SMILESCCO[C@H]1COC[C@@H]1n1ccnc1-c1ccc(F)cc1C
InChIInChI=1S/C16H19FN2O2/c1-3-21-15-10-20-9-14(15)19-7-6-18-16(19)13-5-4-12(17)8-11(13)2/h4-8,14-15H,3,9-10H2,1-2H3/t14-,15-/m0/s1
InChIKeyJCHCAGIZBKRTKL-GJZGRUSLSA-N
MW290.34 g/mol
LogP2.97
Rot. Bonds4

About 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole

1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole (PubChem CID 146042373) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole.

Molecular Properties

Compound Name1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole
PubChem CID146042373
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole
SMILESCCO[C@H]1COC[C@@H]1n1ccnc1-c1ccc(F)cc1C
InChIInChI=1S/C16H19FN2O2/c1-3-21-15-10-20-9-14(15)19-7-6-18-16(19)13-5-4-12(17)8-11(13)2/h4-8,14-15H,3,9-10H2,1-2H3/t14-,15-/m0/s1
InChIKeyJCHCAGIZBKRTKL-GJZGRUSLSA-N
XLogP2.97
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
CID 154823286
2-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]benzoic acid
CID 70758528
2-(4-fluoro-2-methylphenyl)-1-(4-methoxycyclohexyl)imidazole
CID 165426417
[(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol
CID 155505550
4-[[(3S,4S)-4-[2-(4-chloro-2-methylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 170513336
1-[(3R,4S)-4-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]oxolan-3-yl]-N,N-dimethylmethanesulfonamide;formic acid
CID 171325024
2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol
CID 146042201
1-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole
CID 154820229
2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
CID 155495850
4-[[(3S,4S)-4-[2-(2-methoxy-3,5-dimethylphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 170512463
1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole
CID 50970568
4-[[(3S,4S)-4-[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 166623160

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole?
The IUPAC name of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole (CID 146042373) is 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole.
What is the SMILES notation for 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole?
The canonical SMILES for 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole is CCO[C@H]1COC[C@@H]1n1ccnc1-c1ccc(F)cc1C.
What is the InChIKey of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole?
The InChIKey is JCHCAGIZBKRTKL-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-3-21-15-10-20-9-14(15)19-7-6-18-16(19)13-5-4-12(17)8-11(13)2/h4-8,14-15H,3,9-10H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole?
1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole has a molecular weight of 290.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole is sourced from PubChem (CID 146042373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).