2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetohydrazide

C10H10N6O5 — CID 5075261

IUPAC2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetohydrazide
SMILESCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1CC(=O)NN
InChIInChI=1S/C10H10N6O5/c1-5-12-6-2-8(15(18)19)9(16(20)21)3-7(6)14(5)4-10(17)13-11/h2-3H,4,11H2,1H3,(H,13,17)
InChIKeyODIVPAHCXMLOOA-UHFFFAOYSA-N
MW294.23 g/mol
LogP0.15
Rot. Bonds4

About 2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetohydrazide

2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetohydrazide (PubChem CID 5075261) has the molecular formula C10H10N6O5 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetohydrazide
PubChem CID5075261
Molecular FormulaC10H10N6O5
Molecular Weight294.23 g/mol
Exact Mass294.07
IUPAC Name2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetohydrazide
SMILESCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1CC(=O)NN
InChIInChI=1S/C10H10N6O5/c1-5-12-6-2-8(15(18)19)9(16(20)21)3-7(6)14(5)4-10(17)13-11/h2-3H,4,11H2,1H3,(H,13,17)
InChIKeyODIVPAHCXMLOOA-UHFFFAOYSA-N
XLogP0.15
TPSA159.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetohydrazide?
The IUPAC name of 2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetohydrazide (CID 5075261) is 2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetohydrazide is Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1CC(=O)NN.
What is the InChIKey of 2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetohydrazide?
The InChIKey is ODIVPAHCXMLOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O5/c1-5-12-6-2-8(15(18)19)9(16(20)21)3-7(6)14(5)4-10(17)13-11/h2-3H,4,11H2,1H3,(H,13,17).
What are the key properties of 2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetohydrazide?
2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetohydrazide has a molecular weight of 294.23 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5,6-dinitrobenzimidazol-1-yl)acetohydrazide is sourced from PubChem (CID 5075261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).