7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine

C24H22N2O2 — CID 70081746

IUPAC7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)=NN=C(c1ccc(C)cc1)C2
InChIInChI=1S/C24H22N2O2/c1-16-9-11-17(12-10-16)21-13-19-14-22(27-2)23(28-3)15-20(19)24(26-25-21)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3
InChIKeyHKOUUDSPJROIBP-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.81
Rot. Bonds4

About 7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine

7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine (PubChem CID 70081746) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine.

Molecular Properties

Compound Name7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine
PubChem CID70081746
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)=NN=C(c1ccc(C)cc1)C2
InChIInChI=1S/C24H22N2O2/c1-16-9-11-17(12-10-16)21-13-19-14-22(27-2)23(28-3)15-20(19)24(26-25-21)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3
InChIKeyHKOUUDSPJROIBP-UHFFFAOYSA-N
XLogP4.81
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine?
The IUPAC name of 7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine (CID 70081746) is 7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine.
What is the SMILES notation for 7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine?
The canonical SMILES for 7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine is COc1cc2c(cc1OC)C(c1ccccc1)=NN=C(c1ccc(C)cc1)C2.
What is the InChIKey of 7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine?
The InChIKey is HKOUUDSPJROIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-16-9-11-17(12-10-16)21-13-19-14-22(27-2)23(28-3)15-20(19)24(26-25-21)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3.
What are the key properties of 7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine?
7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine has a molecular weight of 370.45 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine is sourced from PubChem (CID 70081746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).