1H-imidazole;methane;hydrofluoride

C4H9FN2 — CID 175289188

IUPAC1H-imidazole;methane;hydrofluoride
SMILESC.F.c1c[nH]cn1
InChIInChI=1S/C3H4N2.CH4.FH/c1-2-5-3-4-1;;/h1-3H,(H,4,5);1H4;1H
InChIKeySJIBDTRKCYTXEE-UHFFFAOYSA-N
MW104.13 g/mol
LogP1.20
Rot. Bonds

About 1H-imidazole;methane;hydrofluoride

1H-imidazole;methane;hydrofluoride (PubChem CID 175289188) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is 1H-imidazole;methane;hydrofluoride.

Molecular Properties

Compound Name1H-imidazole;methane;hydrofluoride
PubChem CID175289188
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name1H-imidazole;methane;hydrofluoride
SMILESC.F.c1c[nH]cn1
InChIInChI=1S/C3H4N2.CH4.FH/c1-2-5-3-4-1;;/h1-3H,(H,4,5);1H4;1H
InChIKeySJIBDTRKCYTXEE-UHFFFAOYSA-N
XLogP1.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;methane;hydrofluoride?
The IUPAC name of 1H-imidazole;methane;hydrofluoride (CID 175289188) is 1H-imidazole;methane;hydrofluoride.
What is the SMILES notation for 1H-imidazole;methane;hydrofluoride?
The canonical SMILES for 1H-imidazole;methane;hydrofluoride is C.F.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;methane;hydrofluoride?
The InChIKey is SJIBDTRKCYTXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.CH4.FH/c1-2-5-3-4-1;;/h1-3H,(H,4,5);1H4;1H.
What are the key properties of 1H-imidazole;methane;hydrofluoride?
1H-imidazole;methane;hydrofluoride has a molecular weight of 104.13 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;methane;hydrofluoride is sourced from PubChem (CID 175289188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).