4-ethyl-5-(fluoromethyl)-4,5-dihydro-1H-imidazole

C6H11FN2 — CID 173379063

IUPAC4-ethyl-5-(fluoromethyl)-4,5-dihydro-1H-imidazole
SMILESCCC1N=CNC1CF
InChIInChI=1S/C6H11FN2/c1-2-5-6(3-7)9-4-8-5/h4-6H,2-3H2,1H3,(H,8,9)
InChIKeyZKLKNMLNIVESFO-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.73
Rot. Bonds2

About 4-ethyl-5-(fluoromethyl)-4,5-dihydro-1H-imidazole

4-ethyl-5-(fluoromethyl)-4,5-dihydro-1H-imidazole (PubChem CID 173379063) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 4-ethyl-5-(fluoromethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-ethyl-5-(fluoromethyl)-4,5-dihydro-1H-imidazole
PubChem CID173379063
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name4-ethyl-5-(fluoromethyl)-4,5-dihydro-1H-imidazole
SMILESCCC1N=CNC1CF
InChIInChI=1S/C6H11FN2/c1-2-5-6(3-7)9-4-8-5/h4-6H,2-3H2,1H3,(H,8,9)
InChIKeyZKLKNMLNIVESFO-UHFFFAOYSA-N
XLogP0.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(fluoromethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 4-ethyl-5-(fluoromethyl)-4,5-dihydro-1H-imidazole (CID 173379063) is 4-ethyl-5-(fluoromethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 4-ethyl-5-(fluoromethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 4-ethyl-5-(fluoromethyl)-4,5-dihydro-1H-imidazole is CCC1N=CNC1CF.
What is the InChIKey of 4-ethyl-5-(fluoromethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is ZKLKNMLNIVESFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2/c1-2-5-6(3-7)9-4-8-5/h4-6H,2-3H2,1H3,(H,8,9).
What are the key properties of 4-ethyl-5-(fluoromethyl)-4,5-dihydro-1H-imidazole?
4-ethyl-5-(fluoromethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 130.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(fluoromethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 173379063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).