3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol

C13H15FN2O — CID 116878411

IUPAC3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol
SMILESCc1cc(-c2cnc(CCCO)[nH]2)ccc1F
InChIInChI=1S/C13H15FN2O/c1-9-7-10(4-5-11(9)14)12-8-15-13(16-12)3-2-6-17/h4-5,7-8,17H,2-3,6H2,1H3,(H,15,16)
InChIKeyLFTNKQNIINTOOF-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.45
Rot. Bonds4

About 3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol

3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol (PubChem CID 116878411) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol
PubChem CID116878411
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol
SMILESCc1cc(-c2cnc(CCCO)[nH]2)ccc1F
InChIInChI=1S/C13H15FN2O/c1-9-7-10(4-5-11(9)14)12-8-15-13(16-12)3-2-6-17/h4-5,7-8,17H,2-3,6H2,1H3,(H,15,16)
InChIKeyLFTNKQNIINTOOF-UHFFFAOYSA-N
XLogP2.45
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol 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 3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol (CID 116878411) is 3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol is Cc1cc(-c2cnc(CCCO)[nH]2)ccc1F.
What is the InChIKey of 3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol?
The InChIKey is LFTNKQNIINTOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-9-7-10(4-5-11(9)14)12-8-15-13(16-12)3-2-6-17/h4-5,7-8,17H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol?
3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol has a molecular weight of 234.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol is sourced from PubChem (CID 116878411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).