2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile

C12H11N3O — CID 79004157

IUPAC2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(C3CCCO3)[nH]c2c1
InChIInChI=1S/C12H11N3O/c13-7-8-3-4-9-10(6-8)15-12(14-9)11-2-1-5-16-11/h3-4,6,11H,1-2,5H2,(H,14,15)
InChIKeyFQNODFUIVSLUFX-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.29
Rot. Bonds1

About 2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile

2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile (PubChem CID 79004157) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile
PubChem CID79004157
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(C3CCCO3)[nH]c2c1
InChIInChI=1S/C12H11N3O/c13-7-8-3-4-9-10(6-8)15-12(14-9)11-2-1-5-16-11/h3-4,6,11H,1-2,5H2,(H,14,15)
InChIKeyFQNODFUIVSLUFX-UHFFFAOYSA-N
XLogP2.29
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile (CID 79004157) is 2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(C3CCCO3)[nH]c2c1.
What is the InChIKey of 2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is FQNODFUIVSLUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-7-8-3-4-9-10(6-8)15-12(14-9)11-2-1-5-16-11/h3-4,6,11H,1-2,5H2,(H,14,15).
What are the key properties of 2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile?
2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 79004157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).