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

C13H11ClN4O2 — CID 14590422

IUPAC7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SMILESCN1Cc2c(C(N)=O)ncn2-c2cccc(Cl)c2C1=O
InChIInChI=1S/C13H11ClN4O2/c1-17-5-9-11(12(15)19)16-6-18(9)8-4-2-3-7(14)10(8)13(17)20/h2-4,6H,5H2,1H3,(H2,15,19)
InChIKeyOGNRYMCWVTZNTN-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.21
Rot. Bonds1

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

7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (PubChem CID 14590422) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
PubChem CID14590422
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC Name7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SMILESCN1Cc2c(C(N)=O)ncn2-c2cccc(Cl)c2C1=O
InChIInChI=1S/C13H11ClN4O2/c1-17-5-9-11(12(15)19)16-6-18(9)8-4-2-3-7(14)10(8)13(17)20/h2-4,6H,5H2,1H3,(H2,15,19)
InChIKeyOGNRYMCWVTZNTN-UHFFFAOYSA-N
XLogP1.21
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.21
H-Bond Donors ≤ 51
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-carboxamide?
The IUPAC name of 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (CID 14590422) is 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.
What is the SMILES notation for 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The canonical SMILES for 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is CN1Cc2c(C(N)=O)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-carboxamide?
The InChIKey is OGNRYMCWVTZNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c1-17-5-9-11(12(15)19)16-6-18(9)8-4-2-3-7(14)10(8)13(17)20/h2-4,6H,5H2,1H3,(H2,15,19).
What are the key properties of 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide has a molecular weight of 290.71 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 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-carboxamide is sourced from PubChem (CID 14590422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).