8-nitro-2,4-dihydroimidazo[1,2-a][1,4]benzodiazepin-1-one

C11H8N4O3 — CID 91496260

IUPAC8-nitro-2,4-dihydroimidazo[1,2-a][1,4]benzodiazepin-1-one
SMILESO=C1CN=C2CN=Cc3cc([N+](=O)[O-])ccc3N12
InChIInChI=1S/C11H8N4O3/c16-11-6-13-10-5-12-4-7-3-8(15(17)18)1-2-9(7)14(10)11/h1-4H,5-6H2
InChIKeyRPULYYGAFHSHNV-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.77
Rot. Bonds1

About 8-nitro-2,4-dihydroimidazo[1,2-a][1,4]benzodiazepin-1-one

8-nitro-2,4-dihydroimidazo[1,2-a][1,4]benzodiazepin-1-one (PubChem CID 91496260) has the molecular formula C11H8N4O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 8-nitro-2,4-dihydroimidazo[1,2-a][1,4]benzodiazepin-1-one.

Molecular Properties

Compound Name8-nitro-2,4-dihydroimidazo[1,2-a][1,4]benzodiazepin-1-one
PubChem CID91496260
Molecular FormulaC11H8N4O3
Molecular Weight244.21 g/mol
Exact Mass244.06
IUPAC Name8-nitro-2,4-dihydroimidazo[1,2-a][1,4]benzodiazepin-1-one
SMILESO=C1CN=C2CN=Cc3cc([N+](=O)[O-])ccc3N12
InChIInChI=1S/C11H8N4O3/c16-11-6-13-10-5-12-4-7-3-8(15(17)18)1-2-9(7)14(10)11/h1-4H,5-6H2
InChIKeyRPULYYGAFHSHNV-UHFFFAOYSA-N
XLogP0.77
TPSA88.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 57156284
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CID 91673292
2-[(4-nitrophenyl)methylsulfanyl]-1-phenyl-4H-imidazol-5-one
CID 135592274
potassium;1-methyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one;chloride
CID 67873195
1-[2-(bromomethyl)-4-nitrophenyl]pyrrolidine-2,5-dione
CID 129185501
4-nitro-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 600712
2-cyano-4-nitrophenolate
CID 15373227
1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione
CID 4120945
1,4-bis(2-chloro-4-nitrophenyl)piperazine
CID 3829099
5-(2-fluoro-3-hydroxyphenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one
CID 10471752
1-cyclopropyl-5-nitro-3H-indol-2-one
CID 69317249
1-methyl-6-nitro-2H-quinolin-3-ol
CID 175932717

Frequently Asked Questions

What is the IUPAC name of 8-nitro-2,4-dihydroimidazo[1,2-a][1,4]benzodiazepin-1-one?
The IUPAC name of 8-nitro-2,4-dihydroimidazo[1,2-a][1,4]benzodiazepin-1-one (CID 91496260) is 8-nitro-2,4-dihydroimidazo[1,2-a][1,4]benzodiazepin-1-one.
What is the SMILES notation for 8-nitro-2,4-dihydroimidazo[1,2-a][1,4]benzodiazepin-1-one?
The canonical SMILES for 8-nitro-2,4-dihydroimidazo[1,2-a][1,4]benzodiazepin-1-one is O=C1CN=C2CN=Cc3cc([N+](=O)[O-])ccc3N12.
What is the InChIKey of 8-nitro-2,4-dihydroimidazo[1,2-a][1,4]benzodiazepin-1-one?
The InChIKey is RPULYYGAFHSHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3/c16-11-6-13-10-5-12-4-7-3-8(15(17)18)1-2-9(7)14(10)11/h1-4H,5-6H2.
What are the key properties of 8-nitro-2,4-dihydroimidazo[1,2-a][1,4]benzodiazepin-1-one?
8-nitro-2,4-dihydroimidazo[1,2-a][1,4]benzodiazepin-1-one has a molecular weight of 244.21 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-2,4-dihydroimidazo[1,2-a][1,4]benzodiazepin-1-one is sourced from PubChem (CID 91496260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).