6-amino-1H-benzimidazol-5-ol

C7H7N3O — CID 82417589

IUPAC6-amino-1H-benzimidazol-5-ol
SMILESNc1cc2[nH]cnc2cc1O
InChIInChI=1S/C7H7N3O/c8-4-1-5-6(2-7(4)11)10-3-9-5/h1-3,11H,8H2,(H,9,10)
InChIKeyUJJPFPQFMVWTHC-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.85
Rot. Bonds

About 6-amino-1H-benzimidazol-5-ol

6-amino-1H-benzimidazol-5-ol (PubChem CID 82417589) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 6-amino-1H-benzimidazol-5-ol.

Molecular Properties

Compound Name6-amino-1H-benzimidazol-5-ol
PubChem CID82417589
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name6-amino-1H-benzimidazol-5-ol
SMILESNc1cc2[nH]cnc2cc1O
InChIInChI=1S/C7H7N3O/c8-4-1-5-6(2-7(4)11)10-3-9-5/h1-3,11H,8H2,(H,9,10)
InChIKeyUJJPFPQFMVWTHC-UHFFFAOYSA-N
XLogP0.85
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-3H-benzimidazole-5-carboxamide
CID 130781668
6-(hydroxymethyl)-1H-benzimidazol-5-ol
CID 130998540
6-(difluoromethyl)-1H-benzimidazol-5-ol
CID 130882278
(2S)-2-amino-3-(6-hydroxy-3H-benzimidazol-5-yl)propanoic acid;dihydrobromide
CID 22807429
6-(trifluoromethoxy)-3H-benzimidazol-5-ol
CID 131326184
6-chloro-1H-benzimidazole-5-carboxylic acid
CID 57429095
4-bromo-5-methylbenzene-1,2-diamine;5-bromo-6-methyl-1H-benzimidazole;formic acid
CID 158989631
2-(3H-benzimidazol-5-yl)phenol
CID 162260962
1-(6-amino-1H-benzimidazol-5-yl)-4-sulfanylpyrrolidin-2-one
CID 168709735
1H-benzimidazole-5,6-dicarbonitrile
CID 15406304
6-(hydroxymethyl)-1H-benzimidazole-5-carboxylic acid
CID 130864914
2-chloro-1-[6-[(N'-chlorocarbamimidoyl)amino]-1H-benzimidazol-5-yl]guanidine
CID 70627804

Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-benzimidazol-5-ol?
The IUPAC name of 6-amino-1H-benzimidazol-5-ol (CID 82417589) is 6-amino-1H-benzimidazol-5-ol.
What is the SMILES notation for 6-amino-1H-benzimidazol-5-ol?
The canonical SMILES for 6-amino-1H-benzimidazol-5-ol is Nc1cc2[nH]cnc2cc1O.
What is the InChIKey of 6-amino-1H-benzimidazol-5-ol?
The InChIKey is UJJPFPQFMVWTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-4-1-5-6(2-7(4)11)10-3-9-5/h1-3,11H,8H2,(H,9,10).
What are the key properties of 6-amino-1H-benzimidazol-5-ol?
6-amino-1H-benzimidazol-5-ol has a molecular weight of 149.15 g/mol, XLogP of 0.85, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-benzimidazol-5-ol is sourced from PubChem (CID 82417589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).