[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone

C26H19N7O4 — CID 166188422

IUPAC[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
SMILESO=C(c1ccc(C(=O)N2CCn3c2nc2ccccc23)c([N+](=O)[O-])c1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C26H19N7O4/c34-23(31-13-11-29-20-7-3-1-5-18(20)27-25(29)31)16-9-10-17(22(15-16)33(36)37)24(35)32-14-12-30-21-8-4-2-6-19(21)28-26(30)32/h1-10,15H,11-14H2
InChIKeyLHQXTOYKAHDELY-UHFFFAOYSA-N
MW493.48 g/mol
LogP3.62
Rot. Bonds3

About [4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone

[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone (PubChem CID 166188422) has the molecular formula C26H19N7O4 and a molecular weight of 493.48 g/mol. Its IUPAC name is [4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
PubChem CID166188422
Molecular FormulaC26H19N7O4
Molecular Weight493.48 g/mol
Exact Mass493.15
IUPAC Name[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
SMILESO=C(c1ccc(C(=O)N2CCn3c2nc2ccccc23)c([N+](=O)[O-])c1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C26H19N7O4/c34-23(31-13-11-29-20-7-3-1-5-18(20)27-25(29)31)16-9-10-17(22(15-16)33(36)37)24(35)32-14-12-30-21-8-4-2-6-19(21)28-26(30)32/h1-10,15H,11-14H2
InChIKeyLHQXTOYKAHDELY-UHFFFAOYSA-N
XLogP3.62
TPSA119.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(4-methylphenyl)methanone
CID 791787
(4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 2435970
4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide
CID 25345819
(3-chlorophenyl)-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)methanone
CID 66504605
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602015
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(5-nitrofuran-2-carbonyl)azetidin-3-yl]methanone
CID 90511987
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2,4-diphenyl-1,3-thiazol-5-yl)methanone
CID 112813260
(1-aminocyclopentyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone;hydrochloride
CID 119265439
(2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride
CID 119265449
(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]methanone
CID 16962964
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 36568004
3-(3-chloro-4-methylphenyl)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)propan-1-one
CID 36567964

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The IUPAC name of [4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone (CID 166188422) is [4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone.
What is the SMILES notation for [4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The canonical SMILES for [4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone is O=C(c1ccc(C(=O)N2CCn3c2nc2ccccc23)c([N+](=O)[O-])c1)N1CCn2c1nc1ccccc12.
What is the InChIKey of [4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The InChIKey is LHQXTOYKAHDELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N7O4/c34-23(31-13-11-29-20-7-3-1-5-18(20)27-25(29)31)16-9-10-17(22(15-16)33(36)37)24(35)32-14-12-30-21-8-4-2-6-19(21)28-26(30)32/h1-10,15H,11-14H2.
What are the key properties of [4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone has a molecular weight of 493.48 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-nitrophenyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone is sourced from PubChem (CID 166188422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).