benzimidazol-2-ylidenemethanone

C8H4N2O — CID 22387228

IUPACbenzimidazol-2-ylidenemethanone
SMILESO=C=C1N=c2ccccc2=N1
InChIInChI=1S/C8H4N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4H
InChIKeyLTQXVMLZHLJHIN-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.39
Rot. Bonds

About benzimidazol-2-ylidenemethanone

benzimidazol-2-ylidenemethanone (PubChem CID 22387228) has the molecular formula C8H4N2O and a molecular weight of 144.13 g/mol. Its IUPAC name is benzimidazol-2-ylidenemethanone.

Molecular Properties

Compound Namebenzimidazol-2-ylidenemethanone
PubChem CID22387228
Molecular FormulaC8H4N2O
Molecular Weight144.13 g/mol
Exact Mass144.03
IUPAC Namebenzimidazol-2-ylidenemethanone
SMILESO=C=C1N=c2ccccc2=N1
InChIInChI=1S/C8H4N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4H
InChIKeyLTQXVMLZHLJHIN-UHFFFAOYSA-N
XLogP-0.39
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzimidazol-2-ylidenemethanone?
The IUPAC name of benzimidazol-2-ylidenemethanone (CID 22387228) is benzimidazol-2-ylidenemethanone.
What is the SMILES notation for benzimidazol-2-ylidenemethanone?
The canonical SMILES for benzimidazol-2-ylidenemethanone is O=C=C1N=c2ccccc2=N1.
What is the InChIKey of benzimidazol-2-ylidenemethanone?
The InChIKey is LTQXVMLZHLJHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4H.
What are the key properties of benzimidazol-2-ylidenemethanone?
benzimidazol-2-ylidenemethanone has a molecular weight of 144.13 g/mol, XLogP of -0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazol-2-ylidenemethanone is sourced from PubChem (CID 22387228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).