3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

C14H12ClN3O2 — CID 10401926

IUPAC3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2
InChIInChI=1S/C14H12ClN3O2/c1-8(19)13-12-6-17(2)14(20)10-5-9(15)3-4-11(10)18(12)7-16-13/h3-5,7H,6H2,1-2H3
InChIKeyFABYOVQWDMCGIB-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.31
Rot. Bonds1

About 3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 10401926) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID10401926
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2
InChIInChI=1S/C14H12ClN3O2/c1-8(19)13-12-6-17(2)14(20)10-5-9(15)3-4-11(10)18(12)7-16-13/h3-5,7H,6H2,1-2H3
InChIKeyFABYOVQWDMCGIB-UHFFFAOYSA-N
XLogP2.31
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 10401926) is 3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2.
What is the InChIKey of 3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is FABYOVQWDMCGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-8(19)13-12-6-17(2)14(20)10-5-9(15)3-4-11(10)18(12)7-16-13/h3-5,7H,6H2,1-2H3.
What are the key properties of 3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 289.72 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 10401926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).