(6-nitro-1H-benzimidazol-2-yl)methanol

C8H7N3O3 — CID 3744471

IUPAC(6-nitro-1H-benzimidazol-2-yl)methanol
SMILESO=[N+]([O-])c1ccc2nc(CO)[nH]c2c1
InChIInChI=1S/C8H7N3O3/c12-4-8-9-6-2-1-5(11(13)14)3-7(6)10-8/h1-3,12H,4H2,(H,9,10)
InChIKeyZJLPIDVKNQXTKN-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.96
Rot. Bonds2

About (6-nitro-1H-benzimidazol-2-yl)methanol

(6-nitro-1H-benzimidazol-2-yl)methanol (PubChem CID 3744471) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is (6-nitro-1H-benzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(6-nitro-1H-benzimidazol-2-yl)methanol
PubChem CID3744471
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name(6-nitro-1H-benzimidazol-2-yl)methanol
SMILESO=[N+]([O-])c1ccc2nc(CO)[nH]c2c1
InChIInChI=1S/C8H7N3O3/c12-4-8-9-6-2-1-5(11(13)14)3-7(6)10-8/h1-3,12H,4H2,(H,9,10)
InChIKeyZJLPIDVKNQXTKN-UHFFFAOYSA-N
XLogP0.96
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.96
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-yl)methanol?
The IUPAC name of (6-nitro-1H-benzimidazol-2-yl)methanol (CID 3744471) is (6-nitro-1H-benzimidazol-2-yl)methanol.
What is the SMILES notation for (6-nitro-1H-benzimidazol-2-yl)methanol?
The canonical SMILES for (6-nitro-1H-benzimidazol-2-yl)methanol is O=[N+]([O-])c1ccc2nc(CO)[nH]c2c1.
What is the InChIKey of (6-nitro-1H-benzimidazol-2-yl)methanol?
The InChIKey is ZJLPIDVKNQXTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c12-4-8-9-6-2-1-5(11(13)14)3-7(6)10-8/h1-3,12H,4H2,(H,9,10).
What are the key properties of (6-nitro-1H-benzimidazol-2-yl)methanol?
(6-nitro-1H-benzimidazol-2-yl)methanol has a molecular weight of 193.16 g/mol, XLogP of 0.96, 2 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-yl)methanol is sourced from PubChem (CID 3744471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).