2-amino-4-(benzimidazol-1-yl)phenol

C13H11N3O — CID 118185058

IUPAC2-amino-4-(benzimidazol-1-yl)phenol
SMILESNc1cc(-n2cnc3ccccc32)ccc1O
InChIInChI=1S/C13H11N3O/c14-10-7-9(5-6-13(10)17)16-8-15-11-3-1-2-4-12(11)16/h1-8,17H,14H2
InChIKeyPEAUEBMDTZBHRU-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.31
Rot. Bonds1

About 2-amino-4-(benzimidazol-1-yl)phenol

2-amino-4-(benzimidazol-1-yl)phenol (PubChem CID 118185058) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-amino-4-(benzimidazol-1-yl)phenol.

Molecular Properties

Compound Name2-amino-4-(benzimidazol-1-yl)phenol
PubChem CID118185058
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-amino-4-(benzimidazol-1-yl)phenol
SMILESNc1cc(-n2cnc3ccccc32)ccc1O
InChIInChI=1S/C13H11N3O/c14-10-7-9(5-6-13(10)17)16-8-15-11-3-1-2-4-12(11)16/h1-8,17H,14H2
InChIKeyPEAUEBMDTZBHRU-UHFFFAOYSA-N
XLogP2.31
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(benzimidazol-1-yl)-2-nitroaniline
CID 10354943
4-(benzimidazol-1-yl)-2-methoxyaniline
CID 63676519
2-[2-amino-5-(benzimidazol-1-yl)phenyl]acetonitrile
CID 102624764
CID 149192166
CID 149192166
3-(benzimidazol-1-yl)naphthalen-2-ol
CID 57307843
1-(3H-benzimidazol-5-yl)benzimidazole
CID 67657705
4-(benzimidazol-1-yl)benzaldehyde
CID 737733
2-[4-(benzimidazol-1-yl)-2-methylphenyl]ethanamine
CID 63816406
(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane
CID 89051577
(2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid
CID 66513444
1-(4-aminophenyl)benzimidazol-5-ol;ethane
CID 145364845

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(benzimidazol-1-yl)phenol?
The IUPAC name of 2-amino-4-(benzimidazol-1-yl)phenol (CID 118185058) is 2-amino-4-(benzimidazol-1-yl)phenol.
What is the SMILES notation for 2-amino-4-(benzimidazol-1-yl)phenol?
The canonical SMILES for 2-amino-4-(benzimidazol-1-yl)phenol is Nc1cc(-n2cnc3ccccc32)ccc1O.
What is the InChIKey of 2-amino-4-(benzimidazol-1-yl)phenol?
The InChIKey is PEAUEBMDTZBHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-10-7-9(5-6-13(10)17)16-8-15-11-3-1-2-4-12(11)16/h1-8,17H,14H2.
What are the key properties of 2-amino-4-(benzimidazol-1-yl)phenol?
2-amino-4-(benzimidazol-1-yl)phenol has a molecular weight of 225.25 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(benzimidazol-1-yl)phenol is sourced from PubChem (CID 118185058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).