2-(2-iodophenyl)-3H-benzimidazol-5-ol

C13H9IN2O — CID 81431209

IUPAC2-(2-iodophenyl)-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(-c3ccccc3I)[nH]c2c1
InChIInChI=1S/C13H9IN2O/c14-10-4-2-1-3-9(10)13-15-11-6-5-8(17)7-12(11)16-13/h1-7,17H,(H,15,16)
InChIKeyDUFWJJSBGRQNHZ-UHFFFAOYSA-N
MW336.13 g/mol
LogP3.54
Rot. Bonds1

About 2-(2-iodophenyl)-3H-benzimidazol-5-ol

2-(2-iodophenyl)-3H-benzimidazol-5-ol (PubChem CID 81431209) has the molecular formula C13H9IN2O and a molecular weight of 336.13 g/mol. Its IUPAC name is 2-(2-iodophenyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(2-iodophenyl)-3H-benzimidazol-5-ol
PubChem CID81431209
Molecular FormulaC13H9IN2O
Molecular Weight336.13 g/mol
Exact Mass335.98
IUPAC Name2-(2-iodophenyl)-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(-c3ccccc3I)[nH]c2c1
InChIInChI=1S/C13H9IN2O/c14-10-4-2-1-3-9(10)13-15-11-6-5-8(17)7-12(11)16-13/h1-7,17H,(H,15,16)
InChIKeyDUFWJJSBGRQNHZ-UHFFFAOYSA-N
XLogP3.54
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 53.54
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-(2-iodophenyl)-3H-benzimidazol-5-amine
CID 24706504
2-(2-bromophenyl)-3H-benzimidazol-5-ol
CID 81431199
2-naphthalen-1-yl-3H-benzimidazol-5-ol
CID 81432399
2-(3-hydroxy-2-methylphenyl)-3H-benzimidazol-5-ol
CID 82829837
2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol
CID 159684416
2-(2-chlorofuran-3-yl)-3H-benzimidazol-5-ol
CID 106688315
2-(5-bromo-2-methylphenyl)-3H-benzimidazol-5-ol
CID 81432484
2-(2,5-difluorophenyl)-3H-benzimidazol-5-ol
CID 81432602
2-pyrazolo[1,5-a]pyridin-3-yl-3H-benzimidazol-5-ol
CID 103119924
2-(2-methylfuran-3-yl)-3H-benzimidazol-5-ol
CID 81432681
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
2-(5-amino-2-chlorophenyl)-3H-benzimidazol-5-ol
CID 81431500

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(2-iodophenyl)-3H-benzimidazol-5-ol (CID 81431209) is 2-(2-iodophenyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(2-iodophenyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(2-iodophenyl)-3H-benzimidazol-5-ol is Oc1ccc2nc(-c3ccccc3I)[nH]c2c1.
What is the InChIKey of 2-(2-iodophenyl)-3H-benzimidazol-5-ol?
The InChIKey is DUFWJJSBGRQNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IN2O/c14-10-4-2-1-3-9(10)13-15-11-6-5-8(17)7-12(11)16-13/h1-7,17H,(H,15,16).
What are the key properties of 2-(2-iodophenyl)-3H-benzimidazol-5-ol?
2-(2-iodophenyl)-3H-benzimidazol-5-ol has a molecular weight of 336.13 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 81431209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).