2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine

C24H24N2 — CID 10472445

IUPAC2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine
SMILESCN1Cc2ccccc2C(c2ccccc2)N=C1CCc1ccccc1
InChIInChI=1S/C24H24N2/c1-26-18-21-14-8-9-15-22(21)24(20-12-6-3-7-13-20)25-23(26)17-16-19-10-4-2-5-11-19/h2-15,24H,16-18H2,1H3
InChIKeyULFIJMOTDRIEPH-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.25
Rot. Bonds4

About 2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine

2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine (PubChem CID 10472445) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine.

Molecular Properties

Compound Name2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine
PubChem CID10472445
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine
SMILESCN1Cc2ccccc2C(c2ccccc2)N=C1CCc1ccccc1
InChIInChI=1S/C24H24N2/c1-26-18-21-14-8-9-15-22(21)24(20-12-6-3-7-13-20)25-23(26)17-16-19-10-4-2-5-11-19/h2-15,24H,16-18H2,1H3
InChIKeyULFIJMOTDRIEPH-UHFFFAOYSA-N
XLogP5.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine?
The IUPAC name of 2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine (CID 10472445) is 2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine.
What is the SMILES notation for 2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine?
The canonical SMILES for 2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine is CN1Cc2ccccc2C(c2ccccc2)N=C1CCc1ccccc1.
What is the InChIKey of 2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine?
The InChIKey is ULFIJMOTDRIEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-26-18-21-14-8-9-15-22(21)24(20-12-6-3-7-13-20)25-23(26)17-16-19-10-4-2-5-11-19/h2-15,24H,16-18H2,1H3.
What are the key properties of 2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine?
2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine has a molecular weight of 340.47 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-3-(2-phenylethyl)-1,5-dihydro-2,4-benzodiazepine is sourced from PubChem (CID 10472445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).