2-(azetidin-1-yl)-4-bromo-1-methylimidazole

C7H10BrN3 — CID 172992766

IUPAC2-(azetidin-1-yl)-4-bromo-1-methylimidazole
SMILESCn1cc(Br)nc1N1CCC1
InChIInChI=1S/C7H10BrN3/c1-10-5-6(8)9-7(10)11-3-2-4-11/h5H,2-4H2,1H3
InChIKeyCFYTVQUUELJPGN-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.39
Rot. Bonds1

About 2-(azetidin-1-yl)-4-bromo-1-methylimidazole

2-(azetidin-1-yl)-4-bromo-1-methylimidazole (PubChem CID 172992766) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-4-bromo-1-methylimidazole.

Molecular Properties

Compound Name2-(azetidin-1-yl)-4-bromo-1-methylimidazole
PubChem CID172992766
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC Name2-(azetidin-1-yl)-4-bromo-1-methylimidazole
SMILESCn1cc(Br)nc1N1CCC1
InChIInChI=1S/C7H10BrN3/c1-10-5-6(8)9-7(10)11-3-2-4-11/h5H,2-4H2,1H3
InChIKeyCFYTVQUUELJPGN-UHFFFAOYSA-N
XLogP1.39
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-4-bromo-1-methylimidazole?
The IUPAC name of 2-(azetidin-1-yl)-4-bromo-1-methylimidazole (CID 172992766) is 2-(azetidin-1-yl)-4-bromo-1-methylimidazole.
What is the SMILES notation for 2-(azetidin-1-yl)-4-bromo-1-methylimidazole?
The canonical SMILES for 2-(azetidin-1-yl)-4-bromo-1-methylimidazole is Cn1cc(Br)nc1N1CCC1.
What is the InChIKey of 2-(azetidin-1-yl)-4-bromo-1-methylimidazole?
The InChIKey is CFYTVQUUELJPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3/c1-10-5-6(8)9-7(10)11-3-2-4-11/h5H,2-4H2,1H3.
What are the key properties of 2-(azetidin-1-yl)-4-bromo-1-methylimidazole?
2-(azetidin-1-yl)-4-bromo-1-methylimidazole has a molecular weight of 216.08 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-4-bromo-1-methylimidazole is sourced from PubChem (CID 172992766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).