5-(difluoromethyl)-1H-imidazole

C4H4F2N2 — CID 12035266

IUPAC5-(difluoromethyl)-1H-imidazole
SMILESFC(F)c1cnc[nH]1
InChIInChI=1S/C4H4F2N2/c5-4(6)3-1-7-2-8-3/h1-2,4H,(H,7,8)
InChIKeyIMHGAHPREAELBI-UHFFFAOYSA-N
MW118.09 g/mol
LogP1.35
Rot. Bonds1

About 5-(difluoromethyl)-1H-imidazole

5-(difluoromethyl)-1H-imidazole (PubChem CID 12035266) has the molecular formula C4H4F2N2 and a molecular weight of 118.09 g/mol. Its IUPAC name is 5-(difluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(difluoromethyl)-1H-imidazole
PubChem CID12035266
Molecular FormulaC4H4F2N2
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Name5-(difluoromethyl)-1H-imidazole
SMILESFC(F)c1cnc[nH]1
InChIInChI=1S/C4H4F2N2/c5-4(6)3-1-7-2-8-3/h1-2,4H,(H,7,8)
InChIKeyIMHGAHPREAELBI-UHFFFAOYSA-N
XLogP1.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Histamine
CID 774
4-Methylimidazole
CID 13195
Histamine Dihydrochloride
CID 5818
2-Ethyl-4-methylimidazole
CID 70262
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912
2,4-Dimethylimidazole
CID 70259
1H-Imidazole-5-propanamine
CID 170389
1H-imidazole-4-carbonitrile
CID 564457
4(5)-(Trifluoromethyl)imidazole
CID 585891

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1H-imidazole?
The IUPAC name of 5-(difluoromethyl)-1H-imidazole (CID 12035266) is 5-(difluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-(difluoromethyl)-1H-imidazole?
The canonical SMILES for 5-(difluoromethyl)-1H-imidazole is FC(F)c1cnc[nH]1.
What is the InChIKey of 5-(difluoromethyl)-1H-imidazole?
The InChIKey is IMHGAHPREAELBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2/c5-4(6)3-1-7-2-8-3/h1-2,4H,(H,7,8).
What are the key properties of 5-(difluoromethyl)-1H-imidazole?
5-(difluoromethyl)-1H-imidazole has a molecular weight of 118.09 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1H-imidazole is sourced from PubChem (CID 12035266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).