1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one

C22H16N2O — CID 4667462

IUPAC1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one
SMILESO=C(C(=Cc1ccccc1)c1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C22H16N2O/c25-22(24-16-23-20-13-7-8-14-21(20)24)19(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-16H
InChIKeyIKYRSCZVGPMKFN-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.92
Rot. Bonds3

About 1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one

1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one (PubChem CID 4667462) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one
PubChem CID4667462
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one
SMILESO=C(C(=Cc1ccccc1)c1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C22H16N2O/c25-22(24-16-23-20-13-7-8-14-21(20)24)19(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-16H
InChIKeyIKYRSCZVGPMKFN-UHFFFAOYSA-N
XLogP4.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one?
The IUPAC name of 1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one (CID 4667462) is 1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one.
What is the SMILES notation for 1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one?
The canonical SMILES for 1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one is O=C(C(=Cc1ccccc1)c1ccccc1)n1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one?
The InChIKey is IKYRSCZVGPMKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c25-22(24-16-23-20-13-7-8-14-21(20)24)19(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-16H.
What are the key properties of 1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one?
1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one has a molecular weight of 324.38 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-2,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 4667462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).