4-fluoro-5-methyl-1H-imidazole

C4H5FN2 — CID 567875

IUPAC4-fluoro-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1F
InChIInChI=1S/C4H5FN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7)
InChIKeyLRNNCMJNXXIDBZ-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.86
Rot. Bonds

About 4-fluoro-5-methyl-1H-imidazole

4-fluoro-5-methyl-1H-imidazole (PubChem CID 567875) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-fluoro-5-methyl-1H-imidazole
PubChem CID567875
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name4-fluoro-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1F
InChIInChI=1S/C4H5FN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7)
InChIKeyLRNNCMJNXXIDBZ-UHFFFAOYSA-N
XLogP0.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methylimidazole
CID 13195
4(5)-(Trifluoromethyl)imidazole
CID 585891
4,5-Dimethyl-1H-imidazole
CID 75306
4,5-bis(trifluoromethyl)-1H-imidazole
CID 312115
4,5-Dimethyl-1H-imidazol-2-amine
CID 12485920
5-Chloro-4-methyl-1H-imidazole
CID 313196
5-methyl-1H-imidazol-2-amine
CID 322559
4-bromo-5-methyl-1H-imidazole
CID 594881
4-Iodo-5-methyl-1H-imidazole
CID 610310
1H-Imidazole, 4-methyl-5-(trifluoromethyl)-
CID 591632
4(5)-(Methyl-d3)imidazole; 5-(Methyl-d3)-1H-imidazole
CID 71750394
4-(difluoromethyl)-1H-imidazole
CID 12035266

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-1H-imidazole?
The IUPAC name of 4-fluoro-5-methyl-1H-imidazole (CID 567875) is 4-fluoro-5-methyl-1H-imidazole.
What is the SMILES notation for 4-fluoro-5-methyl-1H-imidazole?
The canonical SMILES for 4-fluoro-5-methyl-1H-imidazole is Cc1[nH]cnc1F.
What is the InChIKey of 4-fluoro-5-methyl-1H-imidazole?
The InChIKey is LRNNCMJNXXIDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7).
What are the key properties of 4-fluoro-5-methyl-1H-imidazole?
4-fluoro-5-methyl-1H-imidazole has a molecular weight of 100.10 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1H-imidazole is sourced from PubChem (CID 567875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).