6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol

C13H8FIN2O — CID 168555762

IUPAC6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol
SMILESOc1c(-c2nc3ccccc3[nH]2)ccc(I)c1F
InChIInChI=1S/C13H8FIN2O/c14-11-8(15)6-5-7(12(11)18)13-16-9-3-1-2-4-10(9)17-13/h1-6,18H,(H,16,17)
InChIKeyBMCJMXYCSJTKAR-UHFFFAOYSA-N
MW354.12 g/mol
LogP3.68
Rot. Bonds1

About 6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol

6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol (PubChem CID 168555762) has the molecular formula C13H8FIN2O and a molecular weight of 354.12 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol
PubChem CID168555762
Molecular FormulaC13H8FIN2O
Molecular Weight354.12 g/mol
Exact Mass353.97
IUPAC Name6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol
SMILESOc1c(-c2nc3ccccc3[nH]2)ccc(I)c1F
InChIInChI=1S/C13H8FIN2O/c14-11-8(15)6-5-7(12(11)18)13-16-9-3-1-2-4-10(9)17-13/h1-6,18H,(H,16,17)
InChIKeyBMCJMXYCSJTKAR-UHFFFAOYSA-N
XLogP3.68
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-benzimidazol-2-yl)-6-fluorophenol
CID 168553450
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline
CID 168555282
2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol
CID 168554061
5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
CID 20700346
CID 20700346
2-(2-iodophenyl)-3H-benzimidazol-5-ol
CID 81431209
3-(1H-benzimidazol-2-yl)-7-fluoro-6-iodo-1H-quinolin-2-one
CID 172707938
3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile
CID 168555369
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-(1H-benzimidazol-2-yl)-5-fluoro-4-(trifluoromethyl)phenol
CID 168555704
4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol
CID 136781810

Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol?
The IUPAC name of 6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol (CID 168555762) is 6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol is Oc1c(-c2nc3ccccc3[nH]2)ccc(I)c1F.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol?
The InChIKey is BMCJMXYCSJTKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FIN2O/c14-11-8(15)6-5-7(12(11)18)13-16-9-3-1-2-4-10(9)17-13/h1-6,18H,(H,16,17).
What are the key properties of 6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol?
6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol has a molecular weight of 354.12 g/mol, XLogP of 3.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol is sourced from PubChem (CID 168555762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).