2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol

C13H9F2N3O — CID 54924199

IUPAC2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
SMILESNc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1O
InChIInChI=1S/C13H9F2N3O/c14-7-4-10-11(5-8(7)15)18-13(17-10)6-1-2-9(16)12(19)3-6/h1-5,19H,16H2,(H,17,18)
InChIKeyCJLCSVUDXBXZOT-UHFFFAOYSA-N
MW261.23 g/mol
LogP2.80
Rot. Bonds1

About 2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol

2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol (PubChem CID 54924199) has the molecular formula C13H9F2N3O and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
PubChem CID54924199
Molecular FormulaC13H9F2N3O
Molecular Weight261.23 g/mol
Exact Mass261.07
IUPAC Name2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
SMILESNc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1O
InChIInChI=1S/C13H9F2N3O/c14-7-4-10-11(5-8(7)15)18-13(17-10)6-1-2-9(16)12(19)3-6/h1-5,19H,16H2,(H,17,18)
InChIKeyCJLCSVUDXBXZOT-UHFFFAOYSA-N
XLogP2.80
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 52.80
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

4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 135927902
2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol
CID 81432663
5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 166873230
2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole
CID 60978770
2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
CID 107989360
2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 43470869
3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928229
5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol
CID 63852563
3-(5,6-difluoro-1H-benzimidazol-2-yl)-4-fluoroaniline
CID 60835368
5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole
CID 166873941
5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 60980278
2-amino-5-[5-(dimethylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenol
CID 79815748

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol?
The IUPAC name of 2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol (CID 54924199) is 2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol is Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1O.
What is the InChIKey of 2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol?
The InChIKey is CJLCSVUDXBXZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O/c14-7-4-10-11(5-8(7)15)18-13(17-10)6-1-2-9(16)12(19)3-6/h1-5,19H,16H2,(H,17,18).
What are the key properties of 2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol?
2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol has a molecular weight of 261.23 g/mol, XLogP of 2.80, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 54924199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).