2,7-dimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine

C23H22N2 — CID 10019291

IUPAC2,7-dimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine
SMILESCc1ccc2c(c1)N=C(c1ccccc1)CC(C)(c1ccccc1)N2
InChIInChI=1S/C23H22N2/c1-17-13-14-20-21(15-17)24-22(18-9-5-3-6-10-18)16-23(2,25-20)19-11-7-4-8-12-19/h3-15,25H,16H2,1-2H3
InChIKeyFSESKCVEFUTZQI-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.85
Rot. Bonds2

About 2,7-dimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine

2,7-dimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine (PubChem CID 10019291) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2,7-dimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine.

Molecular Properties

Compound Name2,7-dimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine
PubChem CID10019291
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name2,7-dimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine
SMILESCc1ccc2c(c1)N=C(c1ccccc1)CC(C)(c1ccccc1)N2
InChIInChI=1S/C23H22N2/c1-17-13-14-20-21(15-17)24-22(18-9-5-3-6-10-18)16-23(2,25-20)19-11-7-4-8-12-19/h3-15,25H,16H2,1-2H3
InChIKeyFSESKCVEFUTZQI-UHFFFAOYSA-N
XLogP5.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine?
The IUPAC name of 2,7-dimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine (CID 10019291) is 2,7-dimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine.
What is the SMILES notation for 2,7-dimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine?
The canonical SMILES for 2,7-dimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine is Cc1ccc2c(c1)N=C(c1ccccc1)CC(C)(c1ccccc1)N2.
What is the InChIKey of 2,7-dimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine?
The InChIKey is FSESKCVEFUTZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-17-13-14-20-21(15-17)24-22(18-9-5-3-6-10-18)16-23(2,25-20)19-11-7-4-8-12-19/h3-15,25H,16H2,1-2H3.
What are the key properties of 2,7-dimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine?
2,7-dimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine has a molecular weight of 326.44 g/mol, XLogP of 5.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-2,4-diphenyl-1,3-dihydro-1,5-benzodiazepine is sourced from PubChem (CID 10019291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).