1H-benzimidazole;oxolane

C11H14N2O — CID 157372147

IUPAC1H-benzimidazole;oxolane
SMILESC1CCOC1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C4H8O/c1-2-4-7-6(3-1)8-5-9-7;1-2-4-5-3-1/h1-5H,(H,8,9);1-4H2
InChIKeyBJWUOUVQSUJAOH-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.36
Rot. Bonds

About 1H-benzimidazole;oxolane

1H-benzimidazole;oxolane (PubChem CID 157372147) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1H-benzimidazole;oxolane.

Molecular Properties

Compound Name1H-benzimidazole;oxolane
PubChem CID157372147
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1H-benzimidazole;oxolane
SMILESC1CCOC1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C4H8O/c1-2-4-7-6(3-1)8-5-9-7;1-2-4-5-3-1/h1-5H,(H,8,9);1-4H2
InChIKeyBJWUOUVQSUJAOH-UHFFFAOYSA-N
XLogP2.36
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;oxolane?
The IUPAC name of 1H-benzimidazole;oxolane (CID 157372147) is 1H-benzimidazole;oxolane.
What is the SMILES notation for 1H-benzimidazole;oxolane?
The canonical SMILES for 1H-benzimidazole;oxolane is C1CCOC1.c1ccc2[nH]cnc2c1.
What is the InChIKey of 1H-benzimidazole;oxolane?
The InChIKey is BJWUOUVQSUJAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C4H8O/c1-2-4-7-6(3-1)8-5-9-7;1-2-4-5-3-1/h1-5H,(H,8,9);1-4H2.
What are the key properties of 1H-benzimidazole;oxolane?
1H-benzimidazole;oxolane has a molecular weight of 190.25 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;oxolane is sourced from PubChem (CID 157372147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).