5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine

C18H18N2 — CID 142104069

IUPAC5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine
SMILESCc1ccccc1/C=C/C1=NCCNc2ccccc21
InChIInChI=1S/C18H18N2/c1-14-6-2-3-7-15(14)10-11-18-16-8-4-5-9-17(16)19-12-13-20-18/h2-11,19H,12-13H2,1H3/b11-10+
InChIKeyVVWZYTBHFDICHZ-ZHACJKMWSA-N
MW262.36 g/mol
LogP3.92
Rot. Bonds2

About 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine

5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine (PubChem CID 142104069) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine.

Molecular Properties

Compound Name5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine
PubChem CID142104069
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine
SMILESCc1ccccc1/C=C/C1=NCCNc2ccccc21
InChIInChI=1S/C18H18N2/c1-14-6-2-3-7-15(14)10-11-18-16-8-4-5-9-17(16)19-12-13-20-18/h2-11,19H,12-13H2,1H3/b11-10+
InChIKeyVVWZYTBHFDICHZ-ZHACJKMWSA-N
XLogP3.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine with MolForge

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

Launch Full Analysis

Related Compounds

5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine
CID 175060030
5,11,13,15-tetrakis[(E)-2-(2-methylphenyl)ethenyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene
CID 10604517
1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene
CID 2729839
1-ethenyl-2-methylbenzene;sulfane
CID 175547085
5-(1H-indol-3-yl)-2,3-dihydro-1H-1,4-benzodiazepine
CID 27783
ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 145388668
lithium;1-ethenyl-2-methylbenzene;hydride
CID 174441225
2-[5-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]pyridine
CID 102107800
1-methyl-5-[(E)-2-[2-[(E)-2-phenylethenyl]phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine
CID 22742272
N,N-diethyl-2-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]aniline
CID 58518822
N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 90678855
2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole
CID 56935582

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine?
The IUPAC name of 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine (CID 142104069) is 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine.
What is the SMILES notation for 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine?
The canonical SMILES for 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine is Cc1ccccc1/C=C/C1=NCCNc2ccccc21.
What is the InChIKey of 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine?
The InChIKey is VVWZYTBHFDICHZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H18N2/c1-14-6-2-3-7-15(14)10-11-18-16-8-4-5-9-17(16)19-12-13-20-18/h2-11,19H,12-13H2,1H3/b11-10+.
What are the key properties of 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine?
5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine has a molecular weight of 262.36 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2-methylphenyl)ethenyl]-2,3-dihydro-1H-1,4-benzodiazepine is sourced from PubChem (CID 142104069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).