[1-(4-fluorophenyl)-4-methylimidazol-2-yl]methanamine

C11H12FN3 — CID 163914142

IUPAC[1-(4-fluorophenyl)-4-methylimidazol-2-yl]methanamine
SMILESCc1cn(-c2ccc(F)cc2)c(CN)n1
InChIInChI=1S/C11H12FN3/c1-8-7-15(11(6-13)14-8)10-4-2-9(12)3-5-10/h2-5,7H,6,13H2,1H3
InChIKeyQUTJJKYHONVFAE-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.78
Rot. Bonds2

About [1-(4-fluorophenyl)-4-methylimidazol-2-yl]methanamine

[1-(4-fluorophenyl)-4-methylimidazol-2-yl]methanamine (PubChem CID 163914142) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-4-methylimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-4-methylimidazol-2-yl]methanamine
PubChem CID163914142
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name[1-(4-fluorophenyl)-4-methylimidazol-2-yl]methanamine
SMILESCc1cn(-c2ccc(F)cc2)c(CN)n1
InChIInChI=1S/C11H12FN3/c1-8-7-15(11(6-13)14-8)10-4-2-9(12)3-5-10/h2-5,7H,6,13H2,1H3
InChIKeyQUTJJKYHONVFAE-UHFFFAOYSA-N
XLogP1.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-4-methylimidazol-2-yl]methanamine?
The IUPAC name of [1-(4-fluorophenyl)-4-methylimidazol-2-yl]methanamine (CID 163914142) is [1-(4-fluorophenyl)-4-methylimidazol-2-yl]methanamine.
What is the SMILES notation for [1-(4-fluorophenyl)-4-methylimidazol-2-yl]methanamine?
The canonical SMILES for [1-(4-fluorophenyl)-4-methylimidazol-2-yl]methanamine is Cc1cn(-c2ccc(F)cc2)c(CN)n1.
What is the InChIKey of [1-(4-fluorophenyl)-4-methylimidazol-2-yl]methanamine?
The InChIKey is QUTJJKYHONVFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-8-7-15(11(6-13)14-8)10-4-2-9(12)3-5-10/h2-5,7H,6,13H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-4-methylimidazol-2-yl]methanamine?
[1-(4-fluorophenyl)-4-methylimidazol-2-yl]methanamine has a molecular weight of 205.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-4-methylimidazol-2-yl]methanamine is sourced from PubChem (CID 163914142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).