5-(difluoromethyl)-2-methyl-1H-imidazole

C5H6F2N2 — CID 123181892

IUPAC5-(difluoromethyl)-2-methyl-1H-imidazole
SMILESCc1ncc(C(F)F)[nH]1
InChIInChI=1S/C5H6F2N2/c1-3-8-2-4(9-3)5(6)7/h2,5H,1H3,(H,8,9)
InChIKeyPTBZZNUDMQXUGY-UHFFFAOYSA-N
MW132.11 g/mol
LogP1.66
Rot. Bonds1

About 5-(difluoromethyl)-2-methyl-1H-imidazole

5-(difluoromethyl)-2-methyl-1H-imidazole (PubChem CID 123181892) has the molecular formula C5H6F2N2 and a molecular weight of 132.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-(difluoromethyl)-2-methyl-1H-imidazole
PubChem CID123181892
Molecular FormulaC5H6F2N2
Molecular Weight132.11 g/mol
Exact Mass132.05
IUPAC Name5-(difluoromethyl)-2-methyl-1H-imidazole
SMILESCc1ncc(C(F)F)[nH]1
InChIInChI=1S/C5H6F2N2/c1-3-8-2-4(9-3)5(6)7/h2,5H,1H3,(H,8,9)
InChIKeyPTBZZNUDMQXUGY-UHFFFAOYSA-N
XLogP1.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methylimidazole
CID 13195
2-Ethyl-4-methylimidazole
CID 70262
2,4-Dimethylimidazole
CID 70259
2-Methylhistamine
CID 91613
4(5)-(Trifluoromethyl)imidazole
CID 585891
2-Methyl-5-(trifluoromethyl)-1H-imidazole
CID 591635
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole
CID 576151
Imidazole, 4-methyl-2-nitro-, mixed with 5-methyl-2-nitroimidazole (1:1)
CID 21274
2-Iodo-4-methyl-1H-imidazole
CID 322560
4-Methyl-2-propyl-1H-imidazole
CID 12199456
5-methyl-1H-imidazol-2-amine
CID 322559
4-ethynyl-1H-imidazole
CID 18428363

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-methyl-1H-imidazole?
The IUPAC name of 5-(difluoromethyl)-2-methyl-1H-imidazole (CID 123181892) is 5-(difluoromethyl)-2-methyl-1H-imidazole.
What is the SMILES notation for 5-(difluoromethyl)-2-methyl-1H-imidazole?
The canonical SMILES for 5-(difluoromethyl)-2-methyl-1H-imidazole is Cc1ncc(C(F)F)[nH]1.
What is the InChIKey of 5-(difluoromethyl)-2-methyl-1H-imidazole?
The InChIKey is PTBZZNUDMQXUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2/c1-3-8-2-4(9-3)5(6)7/h2,5H,1H3,(H,8,9).
What are the key properties of 5-(difluoromethyl)-2-methyl-1H-imidazole?
5-(difluoromethyl)-2-methyl-1H-imidazole has a molecular weight of 132.11 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-methyl-1H-imidazole is sourced from PubChem (CID 123181892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).