5-methoxy-4-nitro-2H-benzimidazole

C8H7N3O3 — CID 22891149

IUPAC5-methoxy-4-nitro-2H-benzimidazole
SMILESCOc1ccc2c(c1[N+](=O)[O-])=NCN=2
InChIInChI=1S/C8H7N3O3/c1-14-6-3-2-5-7(10-4-9-5)8(6)11(12)13/h2-3H,4H2,1H3
InChIKeyBJXIWYIWMDETTR-UHFFFAOYSA-N
MW193.16 g/mol
LogP-0.19
Rot. Bonds2

About 5-methoxy-4-nitro-2H-benzimidazole

5-methoxy-4-nitro-2H-benzimidazole (PubChem CID 22891149) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 5-methoxy-4-nitro-2H-benzimidazole.

Molecular Properties

Compound Name5-methoxy-4-nitro-2H-benzimidazole
PubChem CID22891149
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name5-methoxy-4-nitro-2H-benzimidazole
SMILESCOc1ccc2c(c1[N+](=O)[O-])=NCN=2
InChIInChI=1S/C8H7N3O3/c1-14-6-3-2-5-7(10-4-9-5)8(6)11(12)13/h2-3H,4H2,1H3
InChIKeyBJXIWYIWMDETTR-UHFFFAOYSA-N
XLogP-0.19
TPSA77.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-0.19
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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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-nitro-2H-benzimidazole?
The IUPAC name of 5-methoxy-4-nitro-2H-benzimidazole (CID 22891149) is 5-methoxy-4-nitro-2H-benzimidazole.
What is the SMILES notation for 5-methoxy-4-nitro-2H-benzimidazole?
The canonical SMILES for 5-methoxy-4-nitro-2H-benzimidazole is COc1ccc2c(c1[N+](=O)[O-])=NCN=2.
What is the InChIKey of 5-methoxy-4-nitro-2H-benzimidazole?
The InChIKey is BJXIWYIWMDETTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-14-6-3-2-5-7(10-4-9-5)8(6)11(12)13/h2-3H,4H2,1H3.
What are the key properties of 5-methoxy-4-nitro-2H-benzimidazole?
5-methoxy-4-nitro-2H-benzimidazole has a molecular weight of 193.16 g/mol, XLogP of -0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-nitro-2H-benzimidazole is sourced from PubChem (CID 22891149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).