6-nitro-1H-benzimidazol-2-amine

C7H6N4O2 — CID 5220052

IUPAC6-nitro-1H-benzimidazol-2-amine
SMILESNc1nc2ccc([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C7H6N4O2/c8-7-9-5-2-1-4(11(12)13)3-6(5)10-7/h1-3H,(H3,8,9,10)
InChIKeyHSEDDANFWUMVCY-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.05
Rot. Bonds1

About 6-nitro-1H-benzimidazol-2-amine

6-nitro-1H-benzimidazol-2-amine (PubChem CID 5220052) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 6-nitro-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-nitro-1H-benzimidazol-2-amine
PubChem CID5220052
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name6-nitro-1H-benzimidazol-2-amine
SMILESNc1nc2ccc([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C7H6N4O2/c8-7-9-5-2-1-4(11(12)13)3-6(5)10-7/h1-3H,(H3,8,9,10)
InChIKeyHSEDDANFWUMVCY-UHFFFAOYSA-N
XLogP1.05
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 6-nitro-1H-benzimidazol-2-amine?
The IUPAC name of 6-nitro-1H-benzimidazol-2-amine (CID 5220052) is 6-nitro-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-nitro-1H-benzimidazol-2-amine?
The canonical SMILES for 6-nitro-1H-benzimidazol-2-amine is Nc1nc2ccc([N+](=O)[O-])cc2[nH]1.
What is the InChIKey of 6-nitro-1H-benzimidazol-2-amine?
The InChIKey is HSEDDANFWUMVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c8-7-9-5-2-1-4(11(12)13)3-6(5)10-7/h1-3H,(H3,8,9,10).
What are the key properties of 6-nitro-1H-benzimidazol-2-amine?
6-nitro-1H-benzimidazol-2-amine has a molecular weight of 178.15 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1H-benzimidazol-2-amine is sourced from PubChem (CID 5220052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).