7-nitro-3H-benzimidazol-4-ol

C7H5N3O3 — CID 130770665

IUPAC7-nitro-3H-benzimidazol-4-ol
SMILESO=[N+]([O-])c1ccc(O)c2[nH]cnc12
InChIInChI=1S/C7H5N3O3/c11-5-2-1-4(10(12)13)6-7(5)9-3-8-6/h1-3,11H,(H,8,9)
InChIKeyZZEODPPBLHOHFG-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.18
Rot. Bonds1

About 7-nitro-3H-benzimidazol-4-ol

7-nitro-3H-benzimidazol-4-ol (PubChem CID 130770665) has the molecular formula C7H5N3O3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 7-nitro-3H-benzimidazol-4-ol.

Molecular Properties

Compound Name7-nitro-3H-benzimidazol-4-ol
PubChem CID130770665
Molecular FormulaC7H5N3O3
Molecular Weight179.14 g/mol
Exact Mass179.03
IUPAC Name7-nitro-3H-benzimidazol-4-ol
SMILESO=[N+]([O-])c1ccc(O)c2[nH]cnc12
InChIInChI=1S/C7H5N3O3/c11-5-2-1-4(10(12)13)6-7(5)9-3-8-6/h1-3,11H,(H,8,9)
InChIKeyZZEODPPBLHOHFG-UHFFFAOYSA-N
XLogP1.18
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.18
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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Related Compounds

4,7-dinitro-1H-benzimidazole
CID 119091833
4,7-dichloro-6-nitro-1H-benzimidazole
CID 95909581
4,7-diiodo-5,6-dinitro-1H-benzimidazole
CID 132518741
aminophosphonic acid;4-nitro-1H-benzimidazole
CID 66650456
7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
CID 15366272
4,7-dinitro-2H-benzotriazole
CID 54319685
5-nitro-1H-benzimidazole-4-sulfonyl chloride
CID 131479443
8-nitro-5-pyrrol-1-yl-3H-quinazolin-4-one
CID 174637819
6-hydroxy-7-nitro-3H-quinazolin-4-one
CID 135616189
6-hydroxy-5-nitro-3H-quinazolin-4-one
CID 166169079
6-methyl-4-nitro-1H-benzimidazole
CID 46707907
4-fluoro-7-nitro-2H-benzotriazole
CID 123254608

Frequently Asked Questions

What is the IUPAC name of 7-nitro-3H-benzimidazol-4-ol?
The IUPAC name of 7-nitro-3H-benzimidazol-4-ol (CID 130770665) is 7-nitro-3H-benzimidazol-4-ol.
What is the SMILES notation for 7-nitro-3H-benzimidazol-4-ol?
The canonical SMILES for 7-nitro-3H-benzimidazol-4-ol is O=[N+]([O-])c1ccc(O)c2[nH]cnc12.
What is the InChIKey of 7-nitro-3H-benzimidazol-4-ol?
The InChIKey is ZZEODPPBLHOHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c11-5-2-1-4(10(12)13)6-7(5)9-3-8-6/h1-3,11H,(H,8,9).
What are the key properties of 7-nitro-3H-benzimidazol-4-ol?
7-nitro-3H-benzimidazol-4-ol has a molecular weight of 179.14 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-3H-benzimidazol-4-ol is sourced from PubChem (CID 130770665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).