4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole

C5H8F2N2 — CID 173378835

IUPAC4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole
SMILESCN1C=NC(C(F)F)C1
InChIInChI=1S/C5H8F2N2/c1-9-2-4(5(6)7)8-3-9/h3-5H,2H2,1H3
InChIKeySWKNBGZPMLYHQE-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.59
Rot. Bonds1

About 4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole

4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole (PubChem CID 173378835) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole
PubChem CID173378835
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole
SMILESCN1C=NC(C(F)F)C1
InChIInChI=1S/C5H8F2N2/c1-9-2-4(5(6)7)8-3-9/h3-5H,2H2,1H3
InChIKeySWKNBGZPMLYHQE-UHFFFAOYSA-N
XLogP0.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole (CID 173378835) is 4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole is CN1C=NC(C(F)F)C1.
What is the InChIKey of 4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole?
The InChIKey is SWKNBGZPMLYHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2/c1-9-2-4(5(6)7)8-3-9/h3-5H,2H2,1H3.
What are the key properties of 4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole?
4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole has a molecular weight of 134.13 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 173378835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).