1-(3-fluoro-4-propan-2-ylphenoxy)imidazole

C12H13FN2O — CID 176770902

IUPAC1-(3-fluoro-4-propan-2-ylphenoxy)imidazole
SMILESCC(C)c1ccc(On2ccnc2)cc1F
InChIInChI=1S/C12H13FN2O/c1-9(2)11-4-3-10(7-12(11)13)16-15-6-5-14-8-15/h3-9H,1-2H3
InChIKeySVIPYWVVMZXYJQ-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.99
Rot. Bonds3

About 1-(3-fluoro-4-propan-2-ylphenoxy)imidazole

1-(3-fluoro-4-propan-2-ylphenoxy)imidazole (PubChem CID 176770902) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-propan-2-ylphenoxy)imidazole.

Molecular Properties

Compound Name1-(3-fluoro-4-propan-2-ylphenoxy)imidazole
PubChem CID176770902
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-(3-fluoro-4-propan-2-ylphenoxy)imidazole
SMILESCC(C)c1ccc(On2ccnc2)cc1F
InChIInChI=1S/C12H13FN2O/c1-9(2)11-4-3-10(7-12(11)13)16-15-6-5-14-8-15/h3-9H,1-2H3
InChIKeySVIPYWVVMZXYJQ-UHFFFAOYSA-N
XLogP2.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(1,1-Dimethylethyl)phenyl]methoxy]-1H-imidazole
CID 1491084
4-[2-(3-Methylimidazol-3-ium-1-yl)ethyl]phenol chloride
CID 13948308
4-[(E)-2-(3-methylimidazol-3-ium-1-yl)ethenyl]phenol bromide
CID 13948306
1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole
CID 125476287
(4-Methylphenyl) imidazole-1-sulfonate
CID 102480913
[3-(Trifluoromethyl)phenyl] imidazole-1-sulfonate
CID 102480911
1-[(E)-2-(4-methoxyphenyl)ethenyl]imidazole
CID 12560350
1-[4-Fluoro-3-methyl-5-(trifluoromethyl)phenoxy]-4-methylimidazole
CID 71025403
1-[3-Fluoro-5-methyl-4-(trifluoromethyl)phenoxy]-4-methylimidazole
CID 71025404
1-(3-Fluoro-5-methylphenoxy)-4-methylimidazole
CID 71025406
(3,5-Dimethylphenyl) imidazole-1-sulfonate
CID 102591651
(4-Ethylphenyl) imidazole-1-sulfonate
CID 60203248

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-propan-2-ylphenoxy)imidazole?
The IUPAC name of 1-(3-fluoro-4-propan-2-ylphenoxy)imidazole (CID 176770902) is 1-(3-fluoro-4-propan-2-ylphenoxy)imidazole.
What is the SMILES notation for 1-(3-fluoro-4-propan-2-ylphenoxy)imidazole?
The canonical SMILES for 1-(3-fluoro-4-propan-2-ylphenoxy)imidazole is CC(C)c1ccc(On2ccnc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-propan-2-ylphenoxy)imidazole?
The InChIKey is SVIPYWVVMZXYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-9(2)11-4-3-10(7-12(11)13)16-15-6-5-14-8-15/h3-9H,1-2H3.
What are the key properties of 1-(3-fluoro-4-propan-2-ylphenoxy)imidazole?
1-(3-fluoro-4-propan-2-ylphenoxy)imidazole has a molecular weight of 220.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-propan-2-ylphenoxy)imidazole is sourced from PubChem (CID 176770902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).