2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine

C18H18N2 — CID 155072945

IUPAC2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine
SMILESC=C1CCNc2c(/C=C/c3ccccc3)cccc2N1
InChIInChI=1S/C18H18N2/c1-14-12-13-19-18-16(8-5-9-17(18)20-14)11-10-15-6-3-2-4-7-15/h2-11,19-20H,1,12-13H2/b11-10+
InChIKeyHNIQAMMBIYPOSK-ZHACJKMWSA-N
MW262.36 g/mol
LogP4.60
Rot. Bonds2

About 2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine

2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine (PubChem CID 155072945) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine
PubChem CID155072945
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine
SMILESC=C1CCNc2c(/C=C/c3ccccc3)cccc2N1
InChIInChI=1S/C18H18N2/c1-14-12-13-19-18-16(8-5-9-17(18)20-14)11-10-15-6-3-2-4-7-15/h2-11,19-20H,1,12-13H2/b11-10+
InChIKeyHNIQAMMBIYPOSK-ZHACJKMWSA-N
XLogP4.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-methyl-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 121271735
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
N-tert-butyl-2-[(E)-2-(2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenyl]benzenesulfonamide
CID 145058173
6-(1-ethylindol-2-yl)-2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine
CID 155073257
4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole
CID 6311587
1-[2-(2-phenylethenyl)phenyl]-10H-phenoxazine
CID 174433212
2-[(E)-2-phenylethenyl]phenolate
CID 23105470
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
2-methylidene-6-(1-methyl-3-propylindol-2-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepine
CID 155073184
pyrrolidine-2,5-dione;stilbene
CID 70488570
1,2-bis(ethenyl)-3-[(E)-2-phenylethenyl]benzene
CID 20571999

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine?
The IUPAC name of 2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine (CID 155072945) is 2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for 2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for 2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine is C=C1CCNc2c(/C=C/c3ccccc3)cccc2N1.
What is the InChIKey of 2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine?
The InChIKey is HNIQAMMBIYPOSK-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H18N2/c1-14-12-13-19-18-16(8-5-9-17(18)20-14)11-10-15-6-3-2-4-7-15/h2-11,19-20H,1,12-13H2/b11-10+.
What are the key properties of 2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine?
2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine has a molecular weight of 262.36 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-[(E)-2-phenylethenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 155072945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).