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

C11H13N3O — CID 84671561

IUPAC4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole
SMILESCc1nc2c(OC3CNC3)cccc2[nH]1
InChIInChI=1S/C11H13N3O/c1-7-13-9-3-2-4-10(11(9)14-7)15-8-5-12-6-8/h2-4,8,12H,5-6H2,1H3,(H,13,14)
InChIKeyIQDCDZVSJQMDSL-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.22
Rot. Bonds2

About 4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole

4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole (PubChem CID 84671561) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole
PubChem CID84671561
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole
SMILESCc1nc2c(OC3CNC3)cccc2[nH]1
InChIInChI=1S/C11H13N3O/c1-7-13-9-3-2-4-10(11(9)14-7)15-8-5-12-6-8/h2-4,8,12H,5-6H2,1H3,(H,13,14)
InChIKeyIQDCDZVSJQMDSL-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 4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole?
The IUPAC name of 4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole (CID 84671561) is 4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole.
What is the SMILES notation for 4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole?
The canonical SMILES for 4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole is Cc1nc2c(OC3CNC3)cccc2[nH]1.
What is the InChIKey of 4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole?
The InChIKey is IQDCDZVSJQMDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-13-9-3-2-4-10(11(9)14-7)15-8-5-12-6-8/h2-4,8,12H,5-6H2,1H3,(H,13,14).
What are the key properties of 4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole?
4-(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 4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole is sourced from PubChem (CID 84671561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).