6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C9H8Br2N2O — CID 624103

IUPAC6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESO=C1CCNc2c(Br)cc(Br)cc2N1
InChIInChI=1S/C9H8Br2N2O/c10-5-3-6(11)9-7(4-5)13-8(14)1-2-12-9/h3-4,12H,1-2H2,(H,13,14)
InChIKeyYNSWUQBMEAHTRI-UHFFFAOYSA-N
MW319.98 g/mol
LogP2.97
Rot. Bonds

About 6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 624103) has the molecular formula C9H8Br2N2O and a molecular weight of 319.98 g/mol. Its IUPAC name is 6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID624103
Molecular FormulaC9H8Br2N2O
Molecular Weight319.98 g/mol
Exact Mass317.90
IUPAC Name6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESO=C1CCNc2c(Br)cc(Br)cc2N1
InChIInChI=1S/C9H8Br2N2O/c10-5-3-6(11)9-7(4-5)13-8(14)1-2-12-9/h3-4,12H,1-2H2,(H,13,14)
InChIKeyYNSWUQBMEAHTRI-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.98
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of 6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 624103) is 6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is O=C1CCNc2c(Br)cc(Br)cc2N1.
What is the InChIKey of 6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is YNSWUQBMEAHTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N2O/c10-5-3-6(11)9-7(4-5)13-8(14)1-2-12-9/h3-4,12H,1-2H2,(H,13,14).
What are the key properties of 6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 319.98 g/mol, XLogP of 2.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 624103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).