5-[[3-(difluoromethoxy)azetidin-1-yl]methyl]-2-methyl-1H-imidazole

C9H13F2N3O — CID 166236689

IUPAC5-[[3-(difluoromethoxy)azetidin-1-yl]methyl]-2-methyl-1H-imidazole
SMILESCc1ncc(CN2CC(OC(F)F)C2)[nH]1
InChIInChI=1S/C9H13F2N3O/c1-6-12-2-7(13-6)3-14-4-8(5-14)15-9(10)11/h2,8-9H,3-5H2,1H3,(H,12,13)
InChIKeySHXPUZHJDGKJLY-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.14
Rot. Bonds4

About 5-[[3-(difluoromethoxy)azetidin-1-yl]methyl]-2-methyl-1H-imidazole

5-[[3-(difluoromethoxy)azetidin-1-yl]methyl]-2-methyl-1H-imidazole (PubChem CID 166236689) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-[[3-(difluoromethoxy)azetidin-1-yl]methyl]-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-[[3-(difluoromethoxy)azetidin-1-yl]methyl]-2-methyl-1H-imidazole
PubChem CID166236689
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name5-[[3-(difluoromethoxy)azetidin-1-yl]methyl]-2-methyl-1H-imidazole
SMILESCc1ncc(CN2CC(OC(F)F)C2)[nH]1
InChIInChI=1S/C9H13F2N3O/c1-6-12-2-7(13-6)3-14-4-8(5-14)15-9(10)11/h2,8-9H,3-5H2,1H3,(H,12,13)
InChIKeySHXPUZHJDGKJLY-UHFFFAOYSA-N
XLogP1.14
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(difluoromethoxy)azetidin-1-yl]methyl]-2-methyl-1H-imidazole?
The IUPAC name of 5-[[3-(difluoromethoxy)azetidin-1-yl]methyl]-2-methyl-1H-imidazole (CID 166236689) is 5-[[3-(difluoromethoxy)azetidin-1-yl]methyl]-2-methyl-1H-imidazole.
What is the SMILES notation for 5-[[3-(difluoromethoxy)azetidin-1-yl]methyl]-2-methyl-1H-imidazole?
The canonical SMILES for 5-[[3-(difluoromethoxy)azetidin-1-yl]methyl]-2-methyl-1H-imidazole is Cc1ncc(CN2CC(OC(F)F)C2)[nH]1.
What is the InChIKey of 5-[[3-(difluoromethoxy)azetidin-1-yl]methyl]-2-methyl-1H-imidazole?
The InChIKey is SHXPUZHJDGKJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-6-12-2-7(13-6)3-14-4-8(5-14)15-9(10)11/h2,8-9H,3-5H2,1H3,(H,12,13).
What are the key properties of 5-[[3-(difluoromethoxy)azetidin-1-yl]methyl]-2-methyl-1H-imidazole?
5-[[3-(difluoromethoxy)azetidin-1-yl]methyl]-2-methyl-1H-imidazole has a molecular weight of 217.22 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(difluoromethoxy)azetidin-1-yl]methyl]-2-methyl-1H-imidazole is sourced from PubChem (CID 166236689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).