7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

C15H10Br2N2O — CID 633837

IUPAC7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2cccc(Br)c2)c2cc(Br)ccc2N1
InChIInChI=1S/C15H10Br2N2O/c16-10-3-1-2-9(6-10)15-12-7-11(17)4-5-13(12)19-14(20)8-18-15/h1-7H,8H2,(H,19,20)
InChIKeyDXCMGHBGLWKNQJ-UHFFFAOYSA-N
MW394.07 g/mol
LogP4.00
Rot. Bonds1

About 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 633837) has the molecular formula C15H10Br2N2O and a molecular weight of 394.07 g/mol. Its IUPAC name is 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID633837
Molecular FormulaC15H10Br2N2O
Molecular Weight394.07 g/mol
Exact Mass391.92
IUPAC Name7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2cccc(Br)c2)c2cc(Br)ccc2N1
InChIInChI=1S/C15H10Br2N2O/c16-10-3-1-2-9(6-10)15-12-7-11(17)4-5-13(12)19-14(20)8-18-15/h1-7H,8H2,(H,19,20)
InChIKeyDXCMGHBGLWKNQJ-UHFFFAOYSA-N
XLogP4.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.07
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-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

Related Compounds

Phenazepam
CID 40113
7-Bromo-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 12947024
Gidazepam
CID 121919
2(1H)-Quinazolinone, 6-bromo-4-phenyl-
CID 63441
RO-05-2921
CID 76175
7-Aminonitrazepam
CID 78641
7-bromo-5-phenyl-1,2-dihydro-2H-1,4-benzodiazepin-2-one
CID 76167
7-Bromo-5-(2-chlorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 632515
7-Bromo-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 627432
7-Bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione
CID 5379120
7-Bromo-3-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 625577
7-Bromo-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 627325

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 633837) is 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(c2cccc(Br)c2)c2cc(Br)ccc2N1.
What is the InChIKey of 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is DXCMGHBGLWKNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O/c16-10-3-1-2-9(6-10)15-12-7-11(17)4-5-13(12)19-14(20)8-18-15/h1-7H,8H2,(H,19,20).
What are the key properties of 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 394.07 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(3-bromophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 633837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).