4-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole

C14H17FN2O — CID 163255200

IUPAC4-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole
SMILESCC(C)c1cc(OCc2cn(C)cn2)ccc1F
InChIInChI=1S/C14H17FN2O/c1-10(2)13-6-12(4-5-14(13)15)18-8-11-7-17(3)9-16-11/h4-7,9-10H,8H2,1-3H3
InChIKeySNFVCRQBIUVGMF-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.26
Rot. Bonds4

About 4-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole

4-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole (PubChem CID 163255200) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 4-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole.

Molecular Properties

Compound Name4-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole
PubChem CID163255200
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name4-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole
SMILESCC(C)c1cc(OCc2cn(C)cn2)ccc1F
InChIInChI=1S/C14H17FN2O/c1-10(2)13-6-12(4-5-14(13)15)18-8-11-7-17(3)9-16-11/h4-7,9-10H,8H2,1-3H3
InChIKeySNFVCRQBIUVGMF-UHFFFAOYSA-N
XLogP3.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-{[(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}-3-(3-ethoxyphenyl)benzonitrile
CID 10195107
(2-Isopropyl-3-methyl-3H-imidazol-4-yl)-(3-methoxy-phenyl)-methanol
CID 3140480
1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-[2-(2,3-dimethylphenoxy)ethyl]-1H-imidazole
CID 868561
(3-Methoxyphenyl)-(3-methyl-2-propylimidazol-4-yl)methanol
CID 2889570
4-[3-(3-Isopropyl-phenoxy)-propyl]-1H-imidazole
CID 11368548
5-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-ethyl]-1-methyl-1H-imidazole
CID 19959377
5-[(2-phenylphenoxy)methyl]-1H-imidazole
CID 44343257
1-[2-(3-methylphenoxy)ethyl]-1H-imidazole
CID 868364
1-[2-(3,5-dimethylphenoxy)ethyl]-1H-imidazole
CID 868468
1-[3-(4-tert-butylphenoxy)propyl]-1H-imidazole
CID 2843930
1-[3-(3-methylphenoxy)propyl]-1H-imidazole
CID 2841257

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole?
The IUPAC name of 4-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole (CID 163255200) is 4-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole.
What is the SMILES notation for 4-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole?
The canonical SMILES for 4-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole is CC(C)c1cc(OCc2cn(C)cn2)ccc1F.
What is the InChIKey of 4-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole?
The InChIKey is SNFVCRQBIUVGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-10(2)13-6-12(4-5-14(13)15)18-8-11-7-17(3)9-16-11/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 4-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole?
4-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole has a molecular weight of 248.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole is sourced from PubChem (CID 163255200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).