2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol

C13H10FN3O — CID 136980082

IUPAC2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol
SMILESNc1cccc(-c2nc3ccc(F)cc3[nH]2)c1O
InChIInChI=1S/C13H10FN3O/c14-7-4-5-10-11(6-7)17-13(16-10)8-2-1-3-9(15)12(8)18/h1-6,18H,15H2,(H,16,17)
InChIKeyFHSZXOGGLVXAKN-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.66
Rot. Bonds1

About 2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol

2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol (PubChem CID 136980082) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol
PubChem CID136980082
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol
SMILESNc1cccc(-c2nc3ccc(F)cc3[nH]2)c1O
InChIInChI=1S/C13H10FN3O/c14-7-4-5-10-11(6-7)17-13(16-10)8-2-1-3-9(15)12(8)18/h1-6,18H,15H2,(H,16,17)
InChIKeyFHSZXOGGLVXAKN-UHFFFAOYSA-N
XLogP2.66
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.66
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

2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 114020270
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one
CID 59208169
3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928229
2-(2,5-difluorophenyl)-3H-benzimidazol-5-ol
CID 81432602
2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole
CID 60981364
2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 60979200
2-(1H-benzimidazol-2-yl)-6-fluorophenol
CID 168553450
2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine
CID 55100100
2-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)phenol
CID 136712580
N-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]acetamide
CID 10000153

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol?
The IUPAC name of 2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol (CID 136980082) is 2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol is Nc1cccc(-c2nc3ccc(F)cc3[nH]2)c1O.
What is the InChIKey of 2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol?
The InChIKey is FHSZXOGGLVXAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-7-4-5-10-11(6-7)17-13(16-10)8-2-1-3-9(15)12(8)18/h1-6,18H,15H2,(H,16,17).
What are the key properties of 2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol?
2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol has a molecular weight of 243.24 g/mol, XLogP of 2.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 136980082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).