2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine

C13H16FN3 — CID 82290112

IUPAC2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2ccc(F)c(C)c2)[nH]1
InChIInChI=1S/C13H16FN3/c1-9-7-10(3-4-11(9)14)12-8-16-13(17-12)5-6-15-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyGWXUHYMGUOYBIH-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.29
Rot. Bonds4

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

2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine (PubChem CID 82290112) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
PubChem CID82290112
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2ccc(F)c(C)c2)[nH]1
InChIInChI=1S/C13H16FN3/c1-9-7-10(3-4-11(9)14)12-8-16-13(17-12)5-6-15-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyGWXUHYMGUOYBIH-UHFFFAOYSA-N
XLogP2.29
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol
CID 116878411
2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95469456
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid
CID 116883404
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650814
2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95474591
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882853
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880620
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 54924865
5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 82079702
2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine
CID 116897750
N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852379

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine (CID 82290112) is 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine is CNCCc1ncc(-c2ccc(F)c(C)c2)[nH]1.
What is the InChIKey of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine?
The InChIKey is GWXUHYMGUOYBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9-7-10(3-4-11(9)14)12-8-16-13(17-12)5-6-15-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine?
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 82290112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).