1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid

C13H16FN3O2 — CID 143223396

IUPAC1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid
SMILESCNCc1nccn1-c1ccc(C)c(F)c1.O=CO
InChIInChI=1S/C12H14FN3.CH2O2/c1-9-3-4-10(7-11(9)13)16-6-5-15-12(16)8-14-2;2-1-3/h3-7,14H,8H2,1-2H3;1H,(H,2,3)
InChIKeyUGMMECJETUUTJR-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.74
Rot. Bonds3

About 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid

1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid (PubChem CID 143223396) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid
PubChem CID143223396
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid
SMILESCNCc1nccn1-c1ccc(C)c(F)c1.O=CO
InChIInChI=1S/C12H14FN3.CH2O2/c1-9-3-4-10(7-11(9)13)16-6-5-15-12(16)8-14-2;2-1-3/h3-7,14H,8H2,1-2H3;1H,(H,2,3)
InChIKeyUGMMECJETUUTJR-UHFFFAOYSA-N
XLogP1.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloropropyl)-3-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]urea
CID 70333949
1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N,N-dimethylmethanamine
CID 21061674
1-[1-(4-chlorophenyl)imidazol-2-yl]-N-methylmethanamine
CID 83890401
1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one
CID 112708450
3-[(4-chlorophenyl)methylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
CID 20941670
3-[6-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-7-hydroxyimidazo[4,5-c]pyridin-1-yl]benzamide
CID 91174888
N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18579474
1-(3-cyano-4-fluorophenyl)-N-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 142129946
1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
CID 16824611
2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde
CID 174422837
3-[2-(3,4-diethoxyphenyl)ethylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
CID 18592076
1-(4-fluoro-3-methylphenyl)imidazol-2-amine
CID 106570575

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid?
The IUPAC name of 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid (CID 143223396) is 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid.
What is the SMILES notation for 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid?
The canonical SMILES for 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid is CNCc1nccn1-c1ccc(C)c(F)c1.O=CO.
What is the InChIKey of 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid?
The InChIKey is UGMMECJETUUTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3.CH2O2/c1-9-3-4-10(7-11(9)13)16-6-5-15-12(16)8-14-2;2-1-3/h3-7,14H,8H2,1-2H3;1H,(H,2,3).
What are the key properties of 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid?
1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid has a molecular weight of 265.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-methylphenyl)imidazol-2-yl]-N-methylmethanamine;formic acid is sourced from PubChem (CID 143223396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).