2-fluoro-4-(2-fluoro-1-methylimidazol-4-yl)-1-methylimidazole

C8H8F2N4 — CID 607734

IUPAC2-fluoro-4-(2-fluoro-1-methylimidazol-4-yl)-1-methylimidazole
SMILESCn1cc(-c2cn(C)c(F)n2)nc1F
InChIInChI=1S/C8H8F2N4/c1-13-3-5(11-7(13)9)6-4-14(2)8(10)12-6/h3-4H,1-2H3
InChIKeyUDSXBSRDKVAIFX-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.10
Rot. Bonds1

About 2-fluoro-4-(2-fluoro-1-methylimidazol-4-yl)-1-methylimidazole

2-fluoro-4-(2-fluoro-1-methylimidazol-4-yl)-1-methylimidazole (PubChem CID 607734) has the molecular formula C8H8F2N4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-fluoro-4-(2-fluoro-1-methylimidazol-4-yl)-1-methylimidazole.

Molecular Properties

Compound Name2-fluoro-4-(2-fluoro-1-methylimidazol-4-yl)-1-methylimidazole
PubChem CID607734
Molecular FormulaC8H8F2N4
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name2-fluoro-4-(2-fluoro-1-methylimidazol-4-yl)-1-methylimidazole
SMILESCn1cc(-c2cn(C)c(F)n2)nc1F
InChIInChI=1S/C8H8F2N4/c1-13-3-5(11-7(13)9)6-4-14(2)8(10)12-6/h3-4H,1-2H3
InChIKeyUDSXBSRDKVAIFX-UHFFFAOYSA-N
XLogP1.10
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-fluoro-1-methylimidazol-4-yl)-1-methylimidazole?
The IUPAC name of 2-fluoro-4-(2-fluoro-1-methylimidazol-4-yl)-1-methylimidazole (CID 607734) is 2-fluoro-4-(2-fluoro-1-methylimidazol-4-yl)-1-methylimidazole.
What is the SMILES notation for 2-fluoro-4-(2-fluoro-1-methylimidazol-4-yl)-1-methylimidazole?
The canonical SMILES for 2-fluoro-4-(2-fluoro-1-methylimidazol-4-yl)-1-methylimidazole is Cn1cc(-c2cn(C)c(F)n2)nc1F.
What is the InChIKey of 2-fluoro-4-(2-fluoro-1-methylimidazol-4-yl)-1-methylimidazole?
The InChIKey is UDSXBSRDKVAIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4/c1-13-3-5(11-7(13)9)6-4-14(2)8(10)12-6/h3-4H,1-2H3.
What are the key properties of 2-fluoro-4-(2-fluoro-1-methylimidazol-4-yl)-1-methylimidazole?
2-fluoro-4-(2-fluoro-1-methylimidazol-4-yl)-1-methylimidazole has a molecular weight of 198.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-fluoro-1-methylimidazol-4-yl)-1-methylimidazole is sourced from PubChem (CID 607734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).