2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine

C22H20N2 — CID 3786626

IUPAC2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine
SMILESCC1(c2ccccc2)CC(c2ccccc2)=Nc2ccccc2N1
InChIInChI=1S/C22H20N2/c1-22(18-12-6-3-7-13-18)16-21(17-10-4-2-5-11-17)23-19-14-8-9-15-20(19)24-22/h2-15,24H,16H2,1H3
InChIKeySDDSPCJRSZADIQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.54
Rot. Bonds2

About 2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine

2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine (PubChem CID 3786626) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine.

Molecular Properties

Compound Name2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine
PubChem CID3786626
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine
SMILESCC1(c2ccccc2)CC(c2ccccc2)=Nc2ccccc2N1
InChIInChI=1S/C22H20N2/c1-22(18-12-6-3-7-13-18)16-21(17-10-4-2-5-11-17)23-19-14-8-9-15-20(19)24-22/h2-15,24H,16H2,1H3
InChIKeySDDSPCJRSZADIQ-UHFFFAOYSA-N
XLogP5.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine?
The IUPAC name of 2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine (CID 3786626) is 2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine.
What is the SMILES notation for 2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine?
The canonical SMILES for 2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine is CC1(c2ccccc2)CC(c2ccccc2)=Nc2ccccc2N1.
What is the InChIKey of 2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine?
The InChIKey is SDDSPCJRSZADIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-22(18-12-6-3-7-13-18)16-21(17-10-4-2-5-11-17)23-19-14-8-9-15-20(19)24-22/h2-15,24H,16H2,1H3.
What are the key properties of 2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine?
2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine has a molecular weight of 312.42 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine is sourced from PubChem (CID 3786626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).