4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine

C23H21N3 — CID 137314288

IUPAC4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine
SMILESCC(/N=C1\CC(c2ccccc2)=Nc2ccccc2N1)c1ccccc1
InChIInChI=1S/C23H21N3/c1-17(18-10-4-2-5-11-18)24-23-16-22(19-12-6-3-7-13-19)25-20-14-8-9-15-21(20)26-23/h2-15,17H,16H2,1H3,(H,24,26)
InChIKeySIOYLPXCCXAEHZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.78
Rot. Bonds3

About 4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine

4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine (PubChem CID 137314288) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine.

Molecular Properties

Compound Name4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine
PubChem CID137314288
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine
SMILESCC(/N=C1\CC(c2ccccc2)=Nc2ccccc2N1)c1ccccc1
InChIInChI=1S/C23H21N3/c1-17(18-10-4-2-5-11-18)24-23-16-22(19-12-6-3-7-13-19)25-20-14-8-9-15-21(20)26-23/h2-15,17H,16H2,1H3,(H,24,26)
InChIKeySIOYLPXCCXAEHZ-UHFFFAOYSA-N
XLogP5.78
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-4-(4-bromophenyl)-1,3-dihydro-1,5-benzodiazepin-2-imine
CID 135604670
benzene;ethane;2-phenyl-3H-indole
CID 91573421
2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine
CID 71375212
4-propan-2-yl-1,3-dihydro-1,5-benzodiazepin-2-one
CID 22288234
2-methyl-4-phenyl-3H-1,5-benzodiazepine;sulfuric acid
CID 43834890
4-(3,4-dichlorophenyl)-1,3-dihydro-1,5-benzodiazepine-2-thione
CID 22762366
ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole
CID 91030329
2-phenyl-4-(trichloromethyl)-3H-1,5-benzodiazepine
CID 139206499
6-tert-butyl-2-phenyl-3H-indole
CID 118318358
7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepine-2-thione
CID 22762335
7,8-dimethoxy-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
CID 22762348
2-phenyl-4-(trifluoromethyl)-3H-1,5-benzodiazepine
CID 690692

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine?
The IUPAC name of 4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine (CID 137314288) is 4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine.
What is the SMILES notation for 4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine?
The canonical SMILES for 4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine is CC(/N=C1\CC(c2ccccc2)=Nc2ccccc2N1)c1ccccc1.
What is the InChIKey of 4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine?
The InChIKey is SIOYLPXCCXAEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c1-17(18-10-4-2-5-11-18)24-23-16-22(19-12-6-3-7-13-19)25-20-14-8-9-15-21(20)26-23/h2-15,17H,16H2,1H3,(H,24,26).
What are the key properties of 4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine?
4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine has a molecular weight of 339.44 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine is sourced from PubChem (CID 137314288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).