8-chloro-4,5-dihydroimidazo[1,2-a][1,4]benzodiazepin-6-one

C11H8ClN3O — CID 70629372

IUPAC8-chloro-4,5-dihydroimidazo[1,2-a][1,4]benzodiazepin-6-one
SMILESO=C1NCc2nccn2-c2ccc(Cl)cc21
InChIInChI=1S/C11H8ClN3O/c12-7-1-2-9-8(5-7)11(16)14-6-10-13-3-4-15(9)10/h1-5H,6H2,(H,14,16)
InChIKeyYHVLFKPAUSXHAQ-UHFFFAOYSA-N
MW233.66 g/mol
LogP1.77
Rot. Bonds

About 8-chloro-4,5-dihydroimidazo[1,2-a][1,4]benzodiazepin-6-one

8-chloro-4,5-dihydroimidazo[1,2-a][1,4]benzodiazepin-6-one (PubChem CID 70629372) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 8-chloro-4,5-dihydroimidazo[1,2-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name8-chloro-4,5-dihydroimidazo[1,2-a][1,4]benzodiazepin-6-one
PubChem CID70629372
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name8-chloro-4,5-dihydroimidazo[1,2-a][1,4]benzodiazepin-6-one
SMILESO=C1NCc2nccn2-c2ccc(Cl)cc21
InChIInChI=1S/C11H8ClN3O/c12-7-1-2-9-8(5-7)11(16)14-6-10-13-3-4-15(9)10/h1-5H,6H2,(H,14,16)
InChIKeyYHVLFKPAUSXHAQ-UHFFFAOYSA-N
XLogP1.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-7-chloro-3,4-dihydro-1,4-benzodiazepin-5-one
CID 130005935
7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138386014
3-chloro-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 76848612
6-chloro-4-fluoro-2,3-dihydroisoindol-1-one
CID 130064719
8-chloro-6,11-dihydroimidazo[1,2-c][1,3]benzodiazepine-5-thione
CID 13344906
2-[1-(3-chlorophenyl)imidazol-2-yl]ethanamine
CID 82286818
4-chloro-5-fluoro-2,3-dihydroisoindol-1-one
CID 130064723
6-(2,4-dichlorophenyl)-4-methyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 76847484
1-(4-chloro-2-iodophenyl)imidazol-2-amine
CID 107628322
5-chloroindazol-3-one
CID 23063946
6-(2-chlorophenyl)-8-fluoro-4H-imidazo[1,2-a][1,4]benzodiazepine
CID 21487182
8-chloro-3,4-dihydro-2H-1,4-benzothiazepin-5-one
CID 14670718

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4,5-dihydroimidazo[1,2-a][1,4]benzodiazepin-6-one?
The IUPAC name of 8-chloro-4,5-dihydroimidazo[1,2-a][1,4]benzodiazepin-6-one (CID 70629372) is 8-chloro-4,5-dihydroimidazo[1,2-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 8-chloro-4,5-dihydroimidazo[1,2-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 8-chloro-4,5-dihydroimidazo[1,2-a][1,4]benzodiazepin-6-one is O=C1NCc2nccn2-c2ccc(Cl)cc21.
What is the InChIKey of 8-chloro-4,5-dihydroimidazo[1,2-a][1,4]benzodiazepin-6-one?
The InChIKey is YHVLFKPAUSXHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-7-1-2-9-8(5-7)11(16)14-6-10-13-3-4-15(9)10/h1-5H,6H2,(H,14,16).
What are the key properties of 8-chloro-4,5-dihydroimidazo[1,2-a][1,4]benzodiazepin-6-one?
8-chloro-4,5-dihydroimidazo[1,2-a][1,4]benzodiazepin-6-one has a molecular weight of 233.66 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4,5-dihydroimidazo[1,2-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 70629372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).