5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one

C14H11N3O — CID 961174

IUPAC5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/N=C/c3ccccc3)cc2[nH]1
InChIInChI=1S/C14H11N3O/c18-14-16-12-7-6-11(8-13(12)17-14)15-9-10-4-2-1-3-5-10/h1-9H,(H2,16,17,18)/b15-9+
InChIKeyOBCVAVGTHLINHM-OQLLNIDSSA-N
MW237.26 g/mol
LogP2.61
Rot. Bonds2

About 5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one

5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one (PubChem CID 961174) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one
PubChem CID961174
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/N=C/c3ccccc3)cc2[nH]1
InChIInChI=1S/C14H11N3O/c18-14-16-12-7-6-11(8-13(12)17-14)15-9-10-4-2-1-3-5-10/h1-9H,(H2,16,17,18)/b15-9+
InChIKeyOBCVAVGTHLINHM-OQLLNIDSSA-N
XLogP2.61
TPSA61.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one (CID 961174) is 5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(/N=C/c3ccccc3)cc2[nH]1.
What is the InChIKey of 5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OBCVAVGTHLINHM-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H11N3O/c18-14-16-12-7-6-11(8-13(12)17-14)15-9-10-4-2-1-3-5-10/h1-9H,(H2,16,17,18)/b15-9+.
What are the key properties of 5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one?
5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 237.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylideneamino)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 961174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).