4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol

C14H11IN2O2 — CID 136663190

IUPAC4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol
SMILESCOc1cc(-c2nc3ccccc3[nH]2)cc(I)c1O
InChIInChI=1S/C14H11IN2O2/c1-19-12-7-8(6-9(15)13(12)18)14-16-10-4-2-3-5-11(10)17-14/h2-7,18H,1H3,(H,16,17)
InChIKeyMIHBHAADQZLFNW-UHFFFAOYSA-N
MW366.16 g/mol
LogP3.55
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol

4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol (PubChem CID 136663190) has the molecular formula C14H11IN2O2 and a molecular weight of 366.16 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol
PubChem CID136663190
Molecular FormulaC14H11IN2O2
Molecular Weight366.16 g/mol
Exact Mass365.99
IUPAC Name4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol
SMILESCOc1cc(-c2nc3ccccc3[nH]2)cc(I)c1O
InChIInChI=1S/C14H11IN2O2/c1-19-12-7-8(6-9(15)13(12)18)14-16-10-4-2-3-5-11(10)17-14/h2-7,18H,1H3,(H,16,17)
InChIKeyMIHBHAADQZLFNW-UHFFFAOYSA-N
XLogP3.55
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenoxy]acetate
CID 168555138
2-[4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenoxy]acetonitrile
CID 168555061
2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole
CID 168555207
2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole
CID 168555811
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118
2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole
CID 146024410
2-(3-ethoxy-5-iodo-4-propoxyphenyl)-1H-benzimidazole
CID 168555067
[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenyl] acetate
CID 168554773
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,6-dimethoxyphenol
CID 154667096
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol (CID 136663190) is 4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol is COc1cc(-c2nc3ccccc3[nH]2)cc(I)c1O.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol?
The InChIKey is MIHBHAADQZLFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O2/c1-19-12-7-8(6-9(15)13(12)18)14-16-10-4-2-3-5-11(10)17-14/h2-7,18H,1H3,(H,16,17).
What are the key properties of 4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol?
4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol has a molecular weight of 366.16 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol is sourced from PubChem (CID 136663190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).