1-methylimidazo[1,5-a][1,4]benzodiazepin-6-one

C12H9N3O — CID 70549517

IUPAC1-methylimidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCc1ncc2cnc(=O)c3ccccc3n12
InChIInChI=1S/C12H9N3O/c1-8-13-6-9-7-14-12(16)10-4-2-3-5-11(10)15(8)9/h2-7H,1H3
InChIKeyZKFDDUYJLKAQAW-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.55
Rot. Bonds

About 1-methylimidazo[1,5-a][1,4]benzodiazepin-6-one

1-methylimidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 70549517) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-methylimidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name1-methylimidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID70549517
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name1-methylimidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCc1ncc2cnc(=O)c3ccccc3n12
InChIInChI=1S/C12H9N3O/c1-8-13-6-9-7-14-12(16)10-4-2-3-5-11(10)15(8)9/h2-7H,1H3
InChIKeyZKFDDUYJLKAQAW-UHFFFAOYSA-N
XLogP1.55
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 1-methylimidazo[1,5-a][1,4]benzodiazepin-6-one (CID 70549517) is 1-methylimidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 1-methylimidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 1-methylimidazo[1,5-a][1,4]benzodiazepin-6-one is Cc1ncc2cnc(=O)c3ccccc3n12.
What is the InChIKey of 1-methylimidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is ZKFDDUYJLKAQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-8-13-6-9-7-14-12(16)10-4-2-3-5-11(10)15(8)9/h2-7H,1H3.
What are the key properties of 1-methylimidazo[1,5-a][1,4]benzodiazepin-6-one?
1-methylimidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 211.22 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 70549517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).