1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine

C12H15FN4 — CID 114265918

IUPAC1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine
SMILESCc1nc(C(C)N)cn1Cc1cncc(F)c1
InChIInChI=1S/C12H15FN4/c1-8(14)12-7-17(9(2)16-12)6-10-3-11(13)5-15-4-10/h3-5,7-8H,6,14H2,1-2H3
InChIKeyGNZFHHDRGILILI-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.79
Rot. Bonds3

About 1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine

1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine (PubChem CID 114265918) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine
PubChem CID114265918
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine
SMILESCc1nc(C(C)N)cn1Cc1cncc(F)c1
InChIInChI=1S/C12H15FN4/c1-8(14)12-7-17(9(2)16-12)6-10-3-11(13)5-15-4-10/h3-5,7-8H,6,14H2,1-2H3
InChIKeyGNZFHHDRGILILI-UHFFFAOYSA-N
XLogP1.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine 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-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine?
The IUPAC name of 1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine (CID 114265918) is 1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine is Cc1nc(C(C)N)cn1Cc1cncc(F)c1.
What is the InChIKey of 1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine?
The InChIKey is GNZFHHDRGILILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-8(14)12-7-17(9(2)16-12)6-10-3-11(13)5-15-4-10/h3-5,7-8H,6,14H2,1-2H3.
What are the key properties of 1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine?
1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine has a molecular weight of 234.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-fluoro-3-pyridinyl)methyl]-2-methylimidazol-4-yl]ethanamine is sourced from PubChem (CID 114265918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).