3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide

C15H14BrN3O — CID 18917698

IUPAC3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide
SMILESBr.NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C15H13N3O.BrH/c16-14-15(19)17-12-9-5-4-8-11(12)13(18-14)10-6-2-1-3-7-10;/h1-9,14H,16H2,(H,17,19);1H
InChIKeyVMGBJEOFTZOWON-UHFFFAOYSA-N
MW332.20 g/mol
LogP2.34
Rot. Bonds1

About 3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide

3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide (PubChem CID 18917698) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide.

Molecular Properties

Compound Name3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide
PubChem CID18917698
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide
SMILESBr.NC1N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C15H13N3O.BrH/c16-14-15(19)17-12-9-5-4-8-11(12)13(18-14)10-6-2-1-3-7-10;/h1-9,14H,16H2,(H,17,19);1H
InChIKeyVMGBJEOFTZOWON-UHFFFAOYSA-N
XLogP2.34
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide?
The IUPAC name of 3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide (CID 18917698) is 3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide.
What is the SMILES notation for 3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide?
The canonical SMILES for 3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide is Br.NC1N=C(c2ccccc2)c2ccccc2NC1=O.
What is the InChIKey of 3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide?
The InChIKey is VMGBJEOFTZOWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O.BrH/c16-14-15(19)17-12-9-5-4-8-11(12)13(18-14)10-6-2-1-3-7-10;/h1-9,14H,16H2,(H,17,19);1H.
What are the key properties of 3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide?
3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide has a molecular weight of 332.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide is sourced from PubChem (CID 18917698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).