8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

C15H14F2N4O2 — CID 71521208

IUPAC8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SMILESCN1Cc2c(C(=O)NCCF)ncn2-c2ccc(F)cc2C1=O
InChIInChI=1S/C15H14F2N4O2/c1-20-7-12-13(14(22)18-5-4-16)19-8-21(12)11-3-2-9(17)6-10(11)15(20)23/h2-3,6,8H,4-5,7H2,1H3,(H,18,22)
InChIKeyKYBYJLWQPCTTIF-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.30
Rot. Bonds3

About 8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (PubChem CID 71521208) has the molecular formula C15H14F2N4O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is 8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
PubChem CID71521208
Molecular FormulaC15H14F2N4O2
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC Name8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
SMILESCN1Cc2c(C(=O)NCCF)ncn2-c2ccc(F)cc2C1=O
InChIInChI=1S/C15H14F2N4O2/c1-20-7-12-13(14(22)18-5-4-16)19-8-21(12)11-3-2-9(17)6-10(11)15(20)23/h2-3,6,8H,4-5,7H2,1H3,(H,18,22)
InChIKeyKYBYJLWQPCTTIF-UHFFFAOYSA-N
XLogP1.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide with MolForge

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Related Compounds

Flumazenil
CID 3373
Ethyl 7-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate
CID 14590408
2-Methyl-7-oxo-4,5,6,7-tetrahydroimidazo(4,5,1-jk)[1,4]benzodiazepine
CID 576186
8-Chloro-3-ethyl-5-methyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 10016265
8-Chloro-5-methyl-3-pentanoyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 10042353
Flumazenil Impurity 8
CID 20515347
ethyl 5,6-dihydro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 21764316
Flumazenil C-11
CID 449752
3-[1-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]piperidin-4-yl]butyl]imidazol-4-yl]-N-[2-(propanoylamino)ethyl]propanamide
CID 122203596
N-[2-[3-[1-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]piperidin-4-yl]butyl]imidazol-4-yl]propanoylamino]ethyl]-2,3-ditritiopropanamide
CID 137633582
3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10401926
CID 6426759
CID 6426759

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The IUPAC name of 8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (CID 71521208) is 8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.
What is the SMILES notation for 8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The canonical SMILES for 8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is CN1Cc2c(C(=O)NCCF)ncn2-c2ccc(F)cc2C1=O.
What is the InChIKey of 8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
The InChIKey is KYBYJLWQPCTTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2/c1-20-7-12-13(14(22)18-5-4-16)19-8-21(12)11-3-2-9(17)6-10(11)15(20)23/h2-3,6,8H,4-5,7H2,1H3,(H,18,22).
What are the key properties of 8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?
8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide has a molecular weight of 320.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is sourced from PubChem (CID 71521208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).