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

C14H11Cl2N3O — CID 86743355

IUPAC7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCN1Cc2c(/C=C\Cl)ncn2-c2cccc(Cl)c2C1=O
InChIInChI=1S/C14H11Cl2N3O/c1-18-7-12-10(5-6-15)17-8-19(12)11-4-2-3-9(16)13(11)14(18)20/h2-6,8H,7H2,1H3/b6-5-
InChIKeyFVOVLJNUPIZMHZ-WAYWQWQTSA-N
MW308.17 g/mol
LogP3.32
Rot. Bonds1

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

7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 86743355) 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-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID86743355
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCN1Cc2c(/C=C\Cl)ncn2-c2cccc(Cl)c2C1=O
InChIInChI=1S/C14H11Cl2N3O/c1-18-7-12-10(5-6-15)17-8-19(12)11-4-2-3-9(16)13(11)14(18)20/h2-6,8H,7H2,1H3/b6-5-
InChIKeyFVOVLJNUPIZMHZ-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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 86743355) is 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CN1Cc2c(/C=C\Cl)ncn2-c2cccc(Cl)c2C1=O.
What is the InChIKey of 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is FVOVLJNUPIZMHZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c1-18-7-12-10(5-6-15)17-8-19(12)11-4-2-3-9(16)13(11)14(18)20/h2-6,8H,7H2,1H3/b6-5-.
What are the key properties of 7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
7-chloro-3-[(Z)-2-chloroethenyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-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-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 86743355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).