1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine

C26H24N2 — CID 22742272

IUPAC1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine
SMILESCN1CCN=C(/C=C/c2ccccc2/C=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C26H24N2/c1-28-20-19-27-25(24-13-7-8-14-26(24)28)18-17-23-12-6-5-11-22(23)16-15-21-9-3-2-4-10-21/h2-18H,19-20H2,1H3/b16-15+,18-17+
InChIKeyLPKWHDCLJVCMSK-GKIXDJALSA-N
MW364.49 g/mol
LogP5.81
Rot. Bonds4

About 1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine

1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine (PubChem CID 22742272) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine.

Molecular Properties

Compound Name1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine
PubChem CID22742272
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine
SMILESCN1CCN=C(/C=C/c2ccccc2/C=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C26H24N2/c1-28-20-19-27-25(24-13-7-8-14-26(24)28)18-17-23-12-6-5-11-22(23)16-15-21-9-3-2-4-10-21/h2-18H,19-20H2,1H3/b16-15+,18-17+
InChIKeyLPKWHDCLJVCMSK-GKIXDJALSA-N
XLogP5.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine?
The IUPAC name of 1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine (CID 22742272) is 1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine.
What is the SMILES notation for 1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine?
The canonical SMILES for 1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine is CN1CCN=C(/C=C/c2ccccc2/C=C/c2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine?
The InChIKey is LPKWHDCLJVCMSK-GKIXDJALSA-N. The full InChI is InChI=1S/C26H24N2/c1-28-20-19-27-25(24-13-7-8-14-26(24)28)18-17-23-12-6-5-11-22(23)16-15-21-9-3-2-4-10-21/h2-18H,19-20H2,1H3/b16-15+,18-17+.
What are the key properties of 1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine?
1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine has a molecular weight of 364.49 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine is sourced from PubChem (CID 22742272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).