3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

C13H13N3O — CID 20523282

IUPAC3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCc1ncn2c1CN(C)C(=O)c1ccccc1-2
InChIInChI=1S/C13H13N3O/c1-9-12-7-15(2)13(17)10-5-3-4-6-11(10)16(12)8-14-9/h3-6,8H,7H2,1-2H3
InChIKeySRSPKIYYVGSPJK-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.77
Rot. Bonds

About 3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 20523282) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID20523282
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCc1ncn2c1CN(C)C(=O)c1ccccc1-2
InChIInChI=1S/C13H13N3O/c1-9-12-7-15(2)13(17)10-5-3-4-6-11(10)16(12)8-14-9/h3-6,8H,7H2,1-2H3
InChIKeySRSPKIYYVGSPJK-UHFFFAOYSA-N
XLogP1.77
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 20523282) is 3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is Cc1ncn2c1CN(C)C(=O)c1ccccc1-2.
What is the InChIKey of 3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is SRSPKIYYVGSPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-12-7-15(2)13(17)10-5-3-4-6-11(10)16(12)8-14-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 227.27 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 20523282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).