7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one

C14H11Cl2N3O — CID 88631711

IUPAC7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one
SMILESCN1Cc2c(Cl)cccc2-n2cnc(/C=C\Cl)c2C1=O
InChIInChI=1S/C14H11Cl2N3O/c1-18-7-9-10(16)3-2-4-12(9)19-8-17-11(5-6-15)13(19)14(18)20/h2-6,8H,7H2,1H3/b6-5-
InChIKeyAZBFGJQJYWIWLQ-WAYWQWQTSA-N
MW308.17 g/mol
LogP3.32
Rot. Bonds1

About 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one

7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one (PubChem CID 88631711) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one.

Molecular Properties

Compound Name7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one
PubChem CID88631711
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one
SMILESCN1Cc2c(Cl)cccc2-n2cnc(/C=C\Cl)c2C1=O
InChIInChI=1S/C14H11Cl2N3O/c1-18-7-9-10(16)3-2-4-12(9)19-8-17-11(5-6-15)13(19)14(18)20/h2-6,8H,7H2,1H3/b6-5-
InChIKeyAZBFGJQJYWIWLQ-WAYWQWQTSA-N
XLogP3.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 86743355
7-chloro-3-[(E)-3-hydroxybut-1-enyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 19851589
7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine
CID 143766032
7-chloro-8-fluoro-3-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one
CID 54376252
7-chloro-3-(3-hydroxy-3-methylpent-4-enyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 139661068
3-[5-(4-amino-2,6-dimethylheptan-4-yl)-1,2,4-oxadiazol-3-yl]-7-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 70075659
3-[5-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,4-oxadiazol-3-yl]-7-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 70362081
7-chloro-3-(3,3-dicyclopropyl-3-hydroxyprop-1-ynyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 19851558
7-chloro-3-(4-cyclopropylbut-1-ynyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 101082353
3,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 20523282
7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;6-chloro-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 157329052
(2S)-2-[(7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 70068948

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one?
The IUPAC name of 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one (CID 88631711) is 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one.
What is the SMILES notation for 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one?
The canonical SMILES for 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one is CN1Cc2c(Cl)cccc2-n2cnc(/C=C\Cl)c2C1=O.
What is the InChIKey of 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one?
The InChIKey is AZBFGJQJYWIWLQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c1-18-7-9-10(16)3-2-4-12(9)19-8-17-11(5-6-15)13(19)14(18)20/h2-6,8H,7H2,1H3/b6-5-.
What are the key properties of 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one?
7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one has a molecular weight of 308.17 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-6H-imidazo[1,5-a][1,4]benzodiazepin-4-one is sourced from PubChem (CID 88631711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).