1-deuterio-2-fluoro-4,5-dimethylimidazole

C5H7FN2 — CID 175883193

IUPAC1-deuterio-2-fluoro-4,5-dimethylimidazole
SMILES[2H]n1c(F)nc(C)c1C
InChIInChI=1S/C5H7FN2/c1-3-4(2)8-5(6)7-3/h1-2H3,(H,7,8)/i/hD
InChIKeyPSFVCMPRFJFPPH-DYCDLGHISA-N
MW115.13 g/mol
LogP1.17
Rot. Bonds

About 1-deuterio-2-fluoro-4,5-dimethylimidazole

1-deuterio-2-fluoro-4,5-dimethylimidazole (PubChem CID 175883193) has the molecular formula C5H7FN2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 1-deuterio-2-fluoro-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-deuterio-2-fluoro-4,5-dimethylimidazole
PubChem CID175883193
Molecular FormulaC5H7FN2
Molecular Weight115.13 g/mol
Exact Mass115.07
IUPAC Name1-deuterio-2-fluoro-4,5-dimethylimidazole
SMILES[2H]n1c(F)nc(C)c1C
InChIInChI=1S/C5H7FN2/c1-3-4(2)8-5(6)7-3/h1-2H3,(H,7,8)/i/hD
InChIKeyPSFVCMPRFJFPPH-DYCDLGHISA-N
XLogP1.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-fluoro-5-methyl-1H-imidazole
CID 138494865
3,4-difluoro-2,5-dimethyl-1H-pyrrole
CID 89253678
2,3,5,6-tetramethylpyrazine;trihydrate
CID 66732985
2,3,4,5-tetrafluoro-6-methylpyridine
CID 15388342
2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine
CID 167619078
5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one
CID 135416969
4,5-dimethyl-1H-imidazole-2-carboxylic acid
CID 14474276
4,5-difluoro-2,6-dimethylpyrimidine
CID 122695499
5-(4-fluorophenyl)-6-methyl-1,2,4-triazin-3-amine
CID 43134540
CID 53421756
CID 53421756
carbanide;2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole;1,2,3,4,5-pentamethylcyclopentane;rhodium;hydrate
CID 162285194
zinc;tris(2-(4,5-dimethyl-1H-imidazol-2-yl)-4,5-dimethyl-1H-imidazole);dinitrate
CID 139067880

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-2-fluoro-4,5-dimethylimidazole?
The IUPAC name of 1-deuterio-2-fluoro-4,5-dimethylimidazole (CID 175883193) is 1-deuterio-2-fluoro-4,5-dimethylimidazole.
What is the SMILES notation for 1-deuterio-2-fluoro-4,5-dimethylimidazole?
The canonical SMILES for 1-deuterio-2-fluoro-4,5-dimethylimidazole is [2H]n1c(F)nc(C)c1C.
What is the InChIKey of 1-deuterio-2-fluoro-4,5-dimethylimidazole?
The InChIKey is PSFVCMPRFJFPPH-DYCDLGHISA-N. The full InChI is InChI=1S/C5H7FN2/c1-3-4(2)8-5(6)7-3/h1-2H3,(H,7,8)/i/hD.
What are the key properties of 1-deuterio-2-fluoro-4,5-dimethylimidazole?
1-deuterio-2-fluoro-4,5-dimethylimidazole has a molecular weight of 115.13 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-2-fluoro-4,5-dimethylimidazole is sourced from PubChem (CID 175883193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).