5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline

C11H12FN3 — CID 164903251

IUPAC5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline
SMILESCc1cc(-c2cn(C)cn2)c(F)cc1N
InChIInChI=1S/C11H12FN3/c1-7-3-8(9(12)4-10(7)13)11-5-15(2)6-14-11/h3-6H,13H2,1-2H3
InChIKeyYCUWMHLKJYTDFW-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.12
Rot. Bonds1

About 5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline

5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline (PubChem CID 164903251) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline
PubChem CID164903251
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline
SMILESCc1cc(-c2cn(C)cn2)c(F)cc1N
InChIInChI=1S/C11H12FN3/c1-7-3-8(9(12)4-10(7)13)11-5-15(2)6-14-11/h3-6H,13H2,1-2H3
InChIKeyYCUWMHLKJYTDFW-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline?
The IUPAC name of 5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline (CID 164903251) is 5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline.
What is the SMILES notation for 5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline?
The canonical SMILES for 5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline is Cc1cc(-c2cn(C)cn2)c(F)cc1N.
What is the InChIKey of 5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline?
The InChIKey is YCUWMHLKJYTDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-7-3-8(9(12)4-10(7)13)11-5-15(2)6-14-11/h3-6H,13H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline?
5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline has a molecular weight of 205.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline is sourced from PubChem (CID 164903251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).