5-bromo-1-(oxetan-3-yl)benzimidazole

C10H9BrN2O — CID 83488440

IUPAC5-bromo-1-(oxetan-3-yl)benzimidazole
SMILESBrc1ccc2c(c1)ncn2C1COC1
InChIInChI=1S/C10H9BrN2O/c11-7-1-2-10-9(3-7)12-6-13(10)8-4-14-5-8/h1-3,6,8H,4-5H2
InChIKeyTUIXNUSACXDHMB-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.37
Rot. Bonds1

About 5-bromo-1-(oxetan-3-yl)benzimidazole

5-bromo-1-(oxetan-3-yl)benzimidazole (PubChem CID 83488440) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 5-bromo-1-(oxetan-3-yl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-(oxetan-3-yl)benzimidazole
PubChem CID83488440
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name5-bromo-1-(oxetan-3-yl)benzimidazole
SMILESBrc1ccc2c(c1)ncn2C1COC1
InChIInChI=1S/C10H9BrN2O/c11-7-1-2-10-9(3-7)12-6-13(10)8-4-14-5-8/h1-3,6,8H,4-5H2
InChIKeyTUIXNUSACXDHMB-UHFFFAOYSA-N
XLogP2.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(oxetan-3-yl)benzimidazole?
The IUPAC name of 5-bromo-1-(oxetan-3-yl)benzimidazole (CID 83488440) is 5-bromo-1-(oxetan-3-yl)benzimidazole.
What is the SMILES notation for 5-bromo-1-(oxetan-3-yl)benzimidazole?
The canonical SMILES for 5-bromo-1-(oxetan-3-yl)benzimidazole is Brc1ccc2c(c1)ncn2C1COC1.
What is the InChIKey of 5-bromo-1-(oxetan-3-yl)benzimidazole?
The InChIKey is TUIXNUSACXDHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-7-1-2-10-9(3-7)12-6-13(10)8-4-14-5-8/h1-3,6,8H,4-5H2.
What are the key properties of 5-bromo-1-(oxetan-3-yl)benzimidazole?
5-bromo-1-(oxetan-3-yl)benzimidazole has a molecular weight of 253.10 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(oxetan-3-yl)benzimidazole is sourced from PubChem (CID 83488440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).