2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol

C13H8BrIN2O — CID 136951440

IUPAC2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol
SMILESOc1ccc(I)cc1-c1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C13H8BrIN2O/c14-9-2-1-3-10-12(9)17-13(16-10)8-6-7(15)4-5-11(8)18/h1-6,18H,(H,16,17)
InChIKeyFRMTZNSFFLGKNT-UHFFFAOYSA-N
MW415.03 g/mol
LogP4.30
Rot. Bonds1

About 2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol

2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol (PubChem CID 136951440) has the molecular formula C13H8BrIN2O and a molecular weight of 415.03 g/mol. Its IUPAC name is 2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol.

Molecular Properties

Compound Name2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol
PubChem CID136951440
Molecular FormulaC13H8BrIN2O
Molecular Weight415.03 g/mol
Exact Mass413.89
IUPAC Name2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol
SMILESOc1ccc(I)cc1-c1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C13H8BrIN2O/c14-9-2-1-3-10-12(9)17-13(16-10)8-6-7(15)4-5-11(8)18/h1-6,18H,(H,16,17)
InChIKeyFRMTZNSFFLGKNT-UHFFFAOYSA-N
XLogP4.30
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.03
LogP ≤ 54.30
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-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol
CID 136885917
4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole
CID 114271471
4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole
CID 114271455
4-iodo-2-(6-methylsulfonyl-1H-benzimidazol-2-yl)phenol
CID 136885876
4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 114271483
4-(4-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903772
2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole
CID 107983005
3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928259
methyl 4-(4-bromo-1H-benzimidazol-2-yl)benzoate
CID 166067422
4-bromo-N-methyl-1H-benzimidazole-2-carboxamide
CID 176661682
2-(4-bromo-1H-benzimidazol-2-yl)ethanol
CID 83866918
3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829916

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol?
The IUPAC name of 2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol (CID 136951440) is 2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol.
What is the SMILES notation for 2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol?
The canonical SMILES for 2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol is Oc1ccc(I)cc1-c1nc2c(Br)cccc2[nH]1.
What is the InChIKey of 2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol?
The InChIKey is FRMTZNSFFLGKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrIN2O/c14-9-2-1-3-10-12(9)17-13(16-10)8-6-7(15)4-5-11(8)18/h1-6,18H,(H,16,17).
What are the key properties of 2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol?
2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol has a molecular weight of 415.03 g/mol, XLogP of 4.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol is sourced from PubChem (CID 136951440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).