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

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

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Launch Full Analysis

Related Compounds

Ro 15-3505
CID 114888
7-chloro-4,5-dihydro-5-methyl-3-(phenylethynyl)-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 19851586
8-Chloro-3-ethyl-5-methyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 10016265
8-Chloro-5-methyl-3-pentanoyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 10042353
8-Chloro-3-diethylaminomethyl-5-methyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 10449469
8-Chloro-3-chloromethyl-5-methyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 10469808
ZG 63
CID 192352
8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10381158
8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10451197
Pwz-029
CID 9971547
8-Chloro-3-ethoxymethyl-5-methyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 9972394
1-(15-Chloro-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl)propan-1-one
CID 11529732

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).