7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

C11H10N4O4 — CID 154700687

IUPAC7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
SMILESO=[N+]([O-])c1cc2nc3n(c2cc1[N+](=O)[O-])CCCC3
InChIInChI=1S/C11H10N4O4/c16-14(17)9-5-7-8(6-10(9)15(18)19)13-4-2-1-3-11(13)12-7/h5-6H,1-4H2
InChIKeyTZEZBUVLAWDJMI-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.19
Rot. Bonds2

About 7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole

7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 154700687) has the molecular formula C11H10N4O4 and a molecular weight of 262.22 g/mol. Its IUPAC name is 7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID154700687
Molecular FormulaC11H10N4O4
Molecular Weight262.22 g/mol
Exact Mass262.07
IUPAC Name7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
SMILESO=[N+]([O-])c1cc2nc3n(c2cc1[N+](=O)[O-])CCCC3
InChIInChI=1S/C11H10N4O4/c16-14(17)9-5-7-8(6-10(9)15(18)19)13-4-2-1-3-11(13)12-7/h5-6H,1-4H2
InChIKeyTZEZBUVLAWDJMI-UHFFFAOYSA-N
XLogP2.19
TPSA104.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole
CID 3567443
7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 102045736
6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 695586
6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine
CID 175752504
2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde
CID 82405915
2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carbaldehyde
CID 82405887
4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine
CID 46862205
2-(3-nitrophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450645
6,7-dinitroquinoxaline
CID 2724608
6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 91675309
2-amino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 134116243
2-methyl-3-[[4-(3-methyl-4-nitrophenyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 75401507

Frequently Asked Questions

What is the IUPAC name of 7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole (CID 154700687) is 7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole is O=[N+]([O-])c1cc2nc3n(c2cc1[N+](=O)[O-])CCCC3.
What is the InChIKey of 7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is TZEZBUVLAWDJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c16-14(17)9-5-7-8(6-10(9)15(18)19)13-4-2-1-3-11(13)12-7/h5-6H,1-4H2.
What are the key properties of 7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole?
7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 262.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 154700687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).