1-phenyl-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one

C19H14N2O — CID 11778752

IUPAC1-phenyl-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one
SMILESO=C1CN=C(c2ccccc2)c2c(ccc3ccccc23)N1
InChIInChI=1S/C19H14N2O/c22-17-12-20-19(14-7-2-1-3-8-14)18-15-9-5-4-6-13(15)10-11-16(18)21-17/h1-11H,12H2,(H,21,22)
InChIKeyXHYCCZMHCVJVSS-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.63
Rot. Bonds1

About 1-phenyl-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one

1-phenyl-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one (PubChem CID 11778752) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-phenyl-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one.

Molecular Properties

Compound Name1-phenyl-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one
PubChem CID11778752
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name1-phenyl-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one
SMILESO=C1CN=C(c2ccccc2)c2c(ccc3ccccc23)N1
InChIInChI=1S/C19H14N2O/c22-17-12-20-19(14-7-2-1-3-8-14)18-15-9-5-4-6-13(15)10-11-16(18)21-17/h1-11H,12H2,(H,21,22)
InChIKeyXHYCCZMHCVJVSS-UHFFFAOYSA-N
XLogP3.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one?
The IUPAC name of 1-phenyl-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one (CID 11778752) is 1-phenyl-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one.
What is the SMILES notation for 1-phenyl-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one?
The canonical SMILES for 1-phenyl-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one is O=C1CN=C(c2ccccc2)c2c(ccc3ccccc23)N1.
What is the InChIKey of 1-phenyl-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one?
The InChIKey is XHYCCZMHCVJVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c22-17-12-20-19(14-7-2-1-3-8-14)18-15-9-5-4-6-13(15)10-11-16(18)21-17/h1-11H,12H2,(H,21,22).
What are the key properties of 1-phenyl-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one?
1-phenyl-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one has a molecular weight of 286.33 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3,5-dihydrobenzo[g][1,4]benzodiazepin-4-one is sourced from PubChem (CID 11778752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).