8-nitro-2-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

C16H14N4O2 — CID 2969306

IUPAC8-nitro-2-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESO=[N+]([O-])c1ccc2c(c1)nc1n2CCN(c2ccccc2)C1
InChIInChI=1S/C16H14N4O2/c21-20(22)13-6-7-15-14(10-13)17-16-11-18(8-9-19(15)16)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyORVNFQYADISMKE-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.96
Rot. Bonds2

About 8-nitro-2-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

8-nitro-2-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (PubChem CID 2969306) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 8-nitro-2-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name8-nitro-2-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
PubChem CID2969306
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name8-nitro-2-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESO=[N+]([O-])c1ccc2c(c1)nc1n2CCN(c2ccccc2)C1
InChIInChI=1S/C16H14N4O2/c21-20(22)13-6-7-15-14(10-13)17-16-11-18(8-9-19(15)16)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyORVNFQYADISMKE-UHFFFAOYSA-N
XLogP2.96
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.96
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

2-Guanidino-5-nitrobenzimidazole
CID 3246448
2-Methyl-5-nitrobenzimidazole
CID 74524
6-Nitro-2-(2-pyridyl)benzimidazole
CID 100489
Clonitazene
CID 62528
5-Nitro-2-(4-pyridinyl)-1H-benzimidazole
CID 617535
4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 599038
6-Nitro-2-(pyridin-3-yl)-1H-benzimidazole
CID 617536
1-(2,4-Dinitrophenyl)benzimidazole
CID 2831910
1-Methyl-2-nitro-1H-benzimidazole
CID 145807
2-methyl-1-phenyl-1H-1,3-benzodiazol-5-amine
CID 3422185
1,3-Dimethyl-2-(4-nitro-phenyl)-3H-benzoimidazol-1-ium, iodide
CID 44659765
1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-4-nitrobenzimidazole
CID 492670

Frequently Asked Questions

What is the IUPAC name of 8-nitro-2-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The IUPAC name of 8-nitro-2-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (CID 2969306) is 8-nitro-2-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 8-nitro-2-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The canonical SMILES for 8-nitro-2-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is O=[N+]([O-])c1ccc2c(c1)nc1n2CCN(c2ccccc2)C1.
What is the InChIKey of 8-nitro-2-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The InChIKey is ORVNFQYADISMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-20(22)13-6-7-15-14(10-13)17-16-11-18(8-9-19(15)16)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2.
What are the key properties of 8-nitro-2-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
8-nitro-2-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole has a molecular weight of 294.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-2-phenyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 2969306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).