5-amino-2-(1H-benzimidazol-2-yl)phenol

C13H11N3O — CID 135578129

IUPAC5-amino-2-(1H-benzimidazol-2-yl)phenol
SMILESNc1ccc(-c2nc3ccccc3[nH]2)c(O)c1
InChIInChI=1S/C13H11N3O/c14-8-5-6-9(12(17)7-8)13-15-10-3-1-2-4-11(10)16-13/h1-7,17H,14H2,(H,15,16)
InChIKeyANUZUKHFRJRBFU-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.52
Rot. Bonds1

About 5-amino-2-(1H-benzimidazol-2-yl)phenol

5-amino-2-(1H-benzimidazol-2-yl)phenol (PubChem CID 135578129) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-amino-2-(1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name5-amino-2-(1H-benzimidazol-2-yl)phenol
PubChem CID135578129
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name5-amino-2-(1H-benzimidazol-2-yl)phenol
SMILESNc1ccc(-c2nc3ccccc3[nH]2)c(O)c1
InChIInChI=1S/C13H11N3O/c14-8-5-6-9(12(17)7-8)13-15-10-3-1-2-4-11(10)16-13/h1-7,17H,14H2,(H,15,16)
InChIKeyANUZUKHFRJRBFU-UHFFFAOYSA-N
XLogP2.52
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline
CID 141467779
4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide
CID 1160309
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
2-(1H-benzimidazol-2-yl)pyridin-4-amine
CID 28811886
2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol
CID 168554407
2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol
CID 147978461
2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol
CID 159684416
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline
CID 168555282
2-(2-iodophenyl)-3H-benzimidazol-5-amine
CID 24706504
2-(2-phenylphenyl)-3H-benzimidazol-5-amine
CID 11150323

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1H-benzimidazol-2-yl)phenol?
The IUPAC name of 5-amino-2-(1H-benzimidazol-2-yl)phenol (CID 135578129) is 5-amino-2-(1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 5-amino-2-(1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 5-amino-2-(1H-benzimidazol-2-yl)phenol is Nc1ccc(-c2nc3ccccc3[nH]2)c(O)c1.
What is the InChIKey of 5-amino-2-(1H-benzimidazol-2-yl)phenol?
The InChIKey is ANUZUKHFRJRBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-8-5-6-9(12(17)7-8)13-15-10-3-1-2-4-11(10)16-13/h1-7,17H,14H2,(H,15,16).
What are the key properties of 5-amino-2-(1H-benzimidazol-2-yl)phenol?
5-amino-2-(1H-benzimidazol-2-yl)phenol has a molecular weight of 225.25 g/mol, XLogP of 2.52, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 135578129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).