6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole

C11H13N3O — CID 84671564

IUPAC6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole
SMILESCc1nc2ccc(OC3CNC3)cc2[nH]1
InChIInChI=1S/C11H13N3O/c1-7-13-10-3-2-8(4-11(10)14-7)15-9-5-12-6-9/h2-4,9,12H,5-6H2,1H3,(H,13,14)
InChIKeyYTBITYDUIVAPNQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.22
Rot. Bonds2

About 6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole

6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole (PubChem CID 84671564) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole
PubChem CID84671564
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole
SMILESCc1nc2ccc(OC3CNC3)cc2[nH]1
InChIInChI=1S/C11H13N3O/c1-7-13-10-3-2-8(4-11(10)14-7)15-9-5-12-6-9/h2-4,9,12H,5-6H2,1H3,(H,13,14)
InChIKeyYTBITYDUIVAPNQ-UHFFFAOYSA-N
XLogP1.22
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole?
The IUPAC name of 6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole (CID 84671564) is 6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole.
What is the SMILES notation for 6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole?
The canonical SMILES for 6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole is Cc1nc2ccc(OC3CNC3)cc2[nH]1.
What is the InChIKey of 6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole?
The InChIKey is YTBITYDUIVAPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-13-10-3-2-8(4-11(10)14-7)15-9-5-12-6-9/h2-4,9,12H,5-6H2,1H3,(H,13,14).
What are the key properties of 6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole?
6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole has a molecular weight of 203.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole is sourced from PubChem (CID 84671564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).