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

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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).