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

C23H22N2O — CID 101399414

IUPAC8-methoxy-2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine
SMILESCOc1ccc2c(c1)NC(C)(c1ccccc1)CC(c1ccccc1)=N2
InChIInChI=1S/C23H22N2O/c1-23(18-11-7-4-8-12-18)16-22(17-9-5-3-6-10-17)24-20-14-13-19(26-2)15-21(20)25-23/h3-15,25H,16H2,1-2H3
InChIKeyKMNGGTJYTLHMCB-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.55
Rot. Bonds3

About 8-methoxy-2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine

8-methoxy-2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine (PubChem CID 101399414) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 8-methoxy-2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine.

Molecular Properties

Compound Name8-methoxy-2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine
PubChem CID101399414
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name8-methoxy-2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine
SMILESCOc1ccc2c(c1)NC(C)(c1ccccc1)CC(c1ccccc1)=N2
InChIInChI=1S/C23H22N2O/c1-23(18-11-7-4-8-12-18)16-22(17-9-5-3-6-10-17)24-20-14-13-19(26-2)15-21(20)25-23/h3-15,25H,16H2,1-2H3
InChIKeyKMNGGTJYTLHMCB-UHFFFAOYSA-N
XLogP5.55
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine?
The IUPAC name of 8-methoxy-2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine (CID 101399414) is 8-methoxy-2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine.
What is the SMILES notation for 8-methoxy-2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine?
The canonical SMILES for 8-methoxy-2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine is COc1ccc2c(c1)NC(C)(c1ccccc1)CC(c1ccccc1)=N2.
What is the InChIKey of 8-methoxy-2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine?
The InChIKey is KMNGGTJYTLHMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-23(18-11-7-4-8-12-18)16-22(17-9-5-3-6-10-17)24-20-14-13-19(26-2)15-21(20)25-23/h3-15,25H,16H2,1-2H3.
What are the key properties of 8-methoxy-2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine?
8-methoxy-2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine has a molecular weight of 342.44 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine is sourced from PubChem (CID 101399414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).