1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine

C12H14FN3 — CID 63108953

IUPAC1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2cc(F)ccc2C)[nH]1
InChIInChI=1S/C12H14FN3/c1-8-3-4-9(13)5-11(8)12-15-7-10(16-12)6-14-2/h3-5,7,14H,6H2,1-2H3,(H,15,16)
InChIKeyBSQIQNPLSIWOGQ-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.24
Rot. Bonds3

About 1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine

1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine (PubChem CID 63108953) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
PubChem CID63108953
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2cc(F)ccc2C)[nH]1
InChIInChI=1S/C12H14FN3/c1-8-3-4-9(13)5-11(8)12-15-7-10(16-12)6-14-2/h3-5,7,14H,6H2,1-2H3,(H,15,16)
InChIKeyBSQIQNPLSIWOGQ-UHFFFAOYSA-N
XLogP2.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine 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 1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine (CID 63108953) is 1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine is CNCc1cnc(-c2cc(F)ccc2C)[nH]1.
What is the InChIKey of 1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The InChIKey is BSQIQNPLSIWOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-3-4-9(13)5-11(8)12-15-7-10(16-12)6-14-2/h3-5,7,14H,6H2,1-2H3,(H,15,16).
What are the key properties of 1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine?
1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-methylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 63108953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).