3-(1H-benzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene

C15H17N3O — CID 141266154

IUPAC3-(1H-benzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESc1ccc2[nH]c(C3=NOC4(CCCCC4)C3)nc2c1
InChIInChI=1S/C15H17N3O/c1-4-8-15(9-5-1)10-13(18-19-15)14-16-11-6-2-3-7-12(11)17-14/h2-3,6-7H,1,4-5,8-10H2,(H,16,17)
InChIKeyGKGIBNIQASIZPH-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.39
Rot. Bonds1

About 3-(1H-benzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene

3-(1H-benzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene (PubChem CID 141266154) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene
PubChem CID141266154
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-(1H-benzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene
SMILESc1ccc2[nH]c(C3=NOC4(CCCCC4)C3)nc2c1
InChIInChI=1S/C15H17N3O/c1-4-8-15(9-5-1)10-13(18-19-15)14-16-11-6-2-3-7-12(11)17-14/h2-3,6-7H,1,4-5,8-10H2,(H,16,17)
InChIKeyGKGIBNIQASIZPH-UHFFFAOYSA-N
XLogP3.39
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene (CID 141266154) is 3-(1H-benzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene is c1ccc2[nH]c(C3=NOC4(CCCCC4)C3)nc2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene?
The InChIKey is GKGIBNIQASIZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-4-8-15(9-5-1)10-13(18-19-15)14-16-11-6-2-3-7-12(11)17-14/h2-3,6-7H,1,4-5,8-10H2,(H,16,17).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene?
3-(1H-benzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene has a molecular weight of 255.32 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 141266154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).