N-(5-fluoro-2-methylimidazol-1-yl)methanimine

C5H6FN3 — CID 157035180

IUPACN-(5-fluoro-2-methylimidazol-1-yl)methanimine
SMILESC=Nn1c(F)cnc1C
InChIInChI=1S/C5H6FN3/c1-4-8-3-5(6)9(4)7-2/h3H,2H2,1H3
InChIKeyIBFNHPIUINNSDI-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.79
Rot. Bonds1

About N-(5-fluoro-2-methylimidazol-1-yl)methanimine

N-(5-fluoro-2-methylimidazol-1-yl)methanimine (PubChem CID 157035180) has the molecular formula C5H6FN3 and a molecular weight of 127.12 g/mol. Its IUPAC name is N-(5-fluoro-2-methylimidazol-1-yl)methanimine.

Molecular Properties

Compound NameN-(5-fluoro-2-methylimidazol-1-yl)methanimine
PubChem CID157035180
Molecular FormulaC5H6FN3
Molecular Weight127.12 g/mol
Exact Mass127.05
IUPAC NameN-(5-fluoro-2-methylimidazol-1-yl)methanimine
SMILESC=Nn1c(F)cnc1C
InChIInChI=1S/C5H6FN3/c1-4-8-3-5(6)9(4)7-2/h3H,2H2,1H3
InChIKeyIBFNHPIUINNSDI-UHFFFAOYSA-N
XLogP0.79
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylimidazol-1-yl)methanimine?
The IUPAC name of N-(5-fluoro-2-methylimidazol-1-yl)methanimine (CID 157035180) is N-(5-fluoro-2-methylimidazol-1-yl)methanimine.
What is the SMILES notation for N-(5-fluoro-2-methylimidazol-1-yl)methanimine?
The canonical SMILES for N-(5-fluoro-2-methylimidazol-1-yl)methanimine is C=Nn1c(F)cnc1C.
What is the InChIKey of N-(5-fluoro-2-methylimidazol-1-yl)methanimine?
The InChIKey is IBFNHPIUINNSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3/c1-4-8-3-5(6)9(4)7-2/h3H,2H2,1H3.
What are the key properties of N-(5-fluoro-2-methylimidazol-1-yl)methanimine?
N-(5-fluoro-2-methylimidazol-1-yl)methanimine has a molecular weight of 127.12 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylimidazol-1-yl)methanimine is sourced from PubChem (CID 157035180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).