5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

C13H10F3N3O — CID 142634881

IUPAC5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCN1Cc2cncn2-c2cccc(C(F)(F)F)c2C1=O
InChIInChI=1S/C13H10F3N3O/c1-18-6-8-5-17-7-19(8)10-4-2-3-9(13(14,15)16)11(10)12(18)20/h2-5,7H,6H2,1H3
InChIKeyHIRBWZITPLPBTN-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.48
Rot. Bonds

About 5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 142634881) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID142634881
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCN1Cc2cncn2-c2cccc(C(F)(F)F)c2C1=O
InChIInChI=1S/C13H10F3N3O/c1-18-6-8-5-17-7-19(8)10-4-2-3-9(13(14,15)16)11(10)12(18)20/h2-5,7H,6H2,1H3
InChIKeyHIRBWZITPLPBTN-UHFFFAOYSA-N
XLogP2.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 142634881) is 5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CN1Cc2cncn2-c2cccc(C(F)(F)F)c2C1=O.
What is the InChIKey of 5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is HIRBWZITPLPBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c1-18-6-8-5-17-7-19(8)10-4-2-3-9(13(14,15)16)11(10)12(18)20/h2-5,7H,6H2,1H3.
What are the key properties of 5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 281.24 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 142634881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).