5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole

C14H17FN2O — CID 163255095

IUPAC5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole
SMILESCC(C)c1cc(OCc2cncn2C)ccc1F
InChIInChI=1S/C14H17FN2O/c1-10(2)13-6-12(4-5-14(13)15)18-8-11-7-16-9-17(11)3/h4-7,9-10H,8H2,1-3H3
InChIKeyGDCVPHFWWGZJLN-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.26
Rot. Bonds4

About 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole

5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole (PubChem CID 163255095) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole
PubChem CID163255095
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole
SMILESCC(C)c1cc(OCc2cncn2C)ccc1F
InChIInChI=1S/C14H17FN2O/c1-10(2)13-6-12(4-5-14(13)15)18-8-11-7-16-9-17(11)3/h4-7,9-10H,8H2,1-3H3
InChIKeyGDCVPHFWWGZJLN-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

Analyze 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole?
The IUPAC name of 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole (CID 163255095) is 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole.
What is the SMILES notation for 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole?
The canonical SMILES for 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole is CC(C)c1cc(OCc2cncn2C)ccc1F.
What is the InChIKey of 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole?
The InChIKey is GDCVPHFWWGZJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-10(2)13-6-12(4-5-14(13)15)18-8-11-7-16-9-17(11)3/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole?
5-[(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 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole is sourced from PubChem (CID 163255095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).