2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole

C14H14F2N2O2 — CID 154823286

IUPAC2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
SMILESCO[C@H]1COC[C@H]1n1ccnc1-c1ccc(F)cc1F
InChIInChI=1S/C14H14F2N2O2/c1-19-13-8-20-7-12(13)18-5-4-17-14(18)10-3-2-9(15)6-11(10)16/h2-6,12-13H,7-8H2,1H3/t12-,13+/m1/s1
InChIKeyQOJHQVZKQDMQOQ-OLZOCXBDSA-N
MW280.27 g/mol
LogP2.41
Rot. Bonds3

About 2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole

2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole (PubChem CID 154823286) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
PubChem CID154823286
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
SMILESCO[C@H]1COC[C@H]1n1ccnc1-c1ccc(F)cc1F
InChIInChI=1S/C14H14F2N2O2/c1-19-13-8-20-7-12(13)18-5-4-17-14(18)10-3-2-9(15)6-11(10)16/h2-6,12-13H,7-8H2,1H3/t12-,13+/m1/s1
InChIKeyQOJHQVZKQDMQOQ-OLZOCXBDSA-N
XLogP2.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole
CID 146042373
1-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole
CID 154820229
2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol
CID 146042201
2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
CID 155495850
(2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine
CID 146046104
2-(4-fluoro-2-methylphenyl)-1-(4-methoxycyclohexyl)imidazole
CID 165426417
4-[[(3S,4S)-4-[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 166623160
2-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]benzoic acid
CID 70758528
[(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol
CID 155505550
(3S,4S)-3-[2-(2,4-dichlorophenyl)imidazol-1-yl]-4-methoxythiolane 1,1-dioxide
CID 138381776
1-[(3R,4S)-4-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]oxolan-3-yl]-N,N-dimethylmethanesulfonamide;formic acid
CID 171325024
4-[[(3R,4S)-4-[2-(2,6-difluoro-4-methoxyphenyl)imidazol-1-yl]oxolan-3-yl]methyl]pyridine
CID 166623324

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole (CID 154823286) is 2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole is CO[C@H]1COC[C@H]1n1ccnc1-c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole?
The InChIKey is QOJHQVZKQDMQOQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-19-13-8-20-7-12(13)18-5-4-17-14(18)10-3-2-9(15)6-11(10)16/h2-6,12-13H,7-8H2,1H3/t12-,13+/m1/s1.
What are the key properties of 2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole?
2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole has a molecular weight of 280.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole is sourced from PubChem (CID 154823286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).