8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride

C12H11ClFN3O — CID 142634879

IUPAC8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride
SMILESCN1Cc2cncn2-c2ccc(F)cc2C1=O.Cl
InChIInChI=1S/C12H10FN3O.ClH/c1-15-6-9-5-14-7-16(9)11-3-2-8(13)4-10(11)12(15)17;/h2-5,7H,6H2,1H3;1H
InChIKeyLOJOEFSOWBKPEC-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.02
Rot. Bonds

About 8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride

8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride (PubChem CID 142634879) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride.

Molecular Properties

Compound Name8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride
PubChem CID142634879
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride
SMILESCN1Cc2cncn2-c2ccc(F)cc2C1=O.Cl
InChIInChI=1S/C12H10FN3O.ClH/c1-15-6-9-5-14-7-16(9)11-3-2-8(13)4-10(11)12(15)17;/h2-5,7H,6H2,1H3;1H
InChIKeyLOJOEFSOWBKPEC-UHFFFAOYSA-N
XLogP2.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

1-ethyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 157240171
3-ethynyl-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 19851546
5-methyl-7-(trifluoromethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 142634881
8-fluoro-N-(2-fluoroethyl)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 71521208
8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 14590439
8-fluoro-3-(3-methoxy-3-methylbut-1-ynyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 19851596
3-[2-(2-chlorophenyl)ethynyl]-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 19851520
2-chloro-7-fluoro-4-methyl-3H-1,4-benzodiazepin-5-one
CID 10857165
8-fluoro-3-[3-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 22914542
2,3-dihydroxybutanedioic acid;ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 175431731
8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 22914586
8-fluoro-5-methyl-3-(3-phenylmethoxyprop-1-ynyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 19830650

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride?
The IUPAC name of 8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride (CID 142634879) is 8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride.
What is the SMILES notation for 8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride?
The canonical SMILES for 8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride is CN1Cc2cncn2-c2ccc(F)cc2C1=O.Cl.
What is the InChIKey of 8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride?
The InChIKey is LOJOEFSOWBKPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O.ClH/c1-15-6-9-5-14-7-16(9)11-3-2-8(13)4-10(11)12(15)17;/h2-5,7H,6H2,1H3;1H.
What are the key properties of 8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride?
8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride has a molecular weight of 267.69 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride is sourced from PubChem (CID 142634879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).