7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonitrile

C13H9ClN4O — CID 14590423

IUPAC7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonitrile
SMILESCN1Cc2c(C#N)ncn2-c2cccc(Cl)c2C1=O
InChIInChI=1S/C13H9ClN4O/c1-17-6-11-9(5-15)16-7-18(11)10-4-2-3-8(14)12(10)13(17)19/h2-4,7H,6H2,1H3
InChIKeyZAMMFLQIVBVQMQ-UHFFFAOYSA-N
MW272.70 g/mol
LogP1.98
Rot. Bonds

About 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonitrile

7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonitrile (PubChem CID 14590423) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonitrile.

Molecular Properties

Compound Name7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonitrile
PubChem CID14590423
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonitrile
SMILESCN1Cc2c(C#N)ncn2-c2cccc(Cl)c2C1=O
InChIInChI=1S/C13H9ClN4O/c1-17-6-11-9(5-15)16-7-18(11)10-4-2-3-8(14)12(10)13(17)19/h2-4,7H,6H2,1H3
InChIKeyZAMMFLQIVBVQMQ-UHFFFAOYSA-N
XLogP1.98
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonitrile?
The IUPAC name of 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonitrile (CID 14590423) is 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonitrile.
What is the SMILES notation for 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonitrile?
The canonical SMILES for 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonitrile is CN1Cc2c(C#N)ncn2-c2cccc(Cl)c2C1=O.
What is the InChIKey of 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonitrile?
The InChIKey is ZAMMFLQIVBVQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c1-17-6-11-9(5-15)16-7-18(11)10-4-2-3-8(14)12(10)13(17)19/h2-4,7H,6H2,1H3.
What are the key properties of 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonitrile?
7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonitrile has a molecular weight of 272.70 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonitrile is sourced from PubChem (CID 14590423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).