bis(1H-benzimidazole);hydrate

C14H14N4O — CID 23293238

IUPACbis(1H-benzimidazole);hydrate
SMILESO.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/2C7H6N2.H2O/c2*1-2-4-7-6(3-1)8-5-9-7;/h2*1-5H,(H,8,9);1H2
InChIKeyVOSDQZOOGNQXMV-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.30
Rot. Bonds

About bis(1H-benzimidazole);hydrate

bis(1H-benzimidazole);hydrate (PubChem CID 23293238) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is bis(1H-benzimidazole);hydrate.

Molecular Properties

Compound Namebis(1H-benzimidazole);hydrate
PubChem CID23293238
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Namebis(1H-benzimidazole);hydrate
SMILESO.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/2C7H6N2.H2O/c2*1-2-4-7-6(3-1)8-5-9-7;/h2*1-5H,(H,8,9);1H2
InChIKeyVOSDQZOOGNQXMV-UHFFFAOYSA-N
XLogP2.30
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(1H-benzimidazole);hydrate?
The IUPAC name of bis(1H-benzimidazole);hydrate (CID 23293238) is bis(1H-benzimidazole);hydrate.
What is the SMILES notation for bis(1H-benzimidazole);hydrate?
The canonical SMILES for bis(1H-benzimidazole);hydrate is O.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.
What is the InChIKey of bis(1H-benzimidazole);hydrate?
The InChIKey is VOSDQZOOGNQXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6N2.H2O/c2*1-2-4-7-6(3-1)8-5-9-7;/h2*1-5H,(H,8,9);1H2.
What are the key properties of bis(1H-benzimidazole);hydrate?
bis(1H-benzimidazole);hydrate has a molecular weight of 254.29 g/mol, XLogP of 2.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-benzimidazole);hydrate is sourced from PubChem (CID 23293238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).