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

C14H11IN2O — CID 168554061

IUPAC2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol
SMILESCc1cc(I)cc(-c2nc3ccccc3[nH]2)c1O
InChIInChI=1S/C14H11IN2O/c1-8-6-9(15)7-10(13(8)18)14-16-11-4-2-3-5-12(11)17-14/h2-7,18H,1H3,(H,16,17)
InChIKeyDJIAOKWNEVSPJR-UHFFFAOYSA-N
MW350.16 g/mol
LogP3.85
Rot. Bonds1

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

2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol (PubChem CID 168554061) has the molecular formula C14H11IN2O and a molecular weight of 350.16 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol
PubChem CID168554061
Molecular FormulaC14H11IN2O
Molecular Weight350.16 g/mol
Exact Mass349.99
IUPAC Name2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol
SMILESCc1cc(I)cc(-c2nc3ccccc3[nH]2)c1O
InChIInChI=1S/C14H11IN2O/c1-8-6-9(15)7-10(13(8)18)14-16-11-4-2-3-5-12(11)17-14/h2-7,18H,1H3,(H,16,17)
InChIKeyDJIAOKWNEVSPJR-UHFFFAOYSA-N
XLogP3.85
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 53.85
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

2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
3-(1H-benzimidazol-2-yl)-6-iodo-8-methylchromen-2-one
CID 17078675
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol
CID 136781810
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol
CID 168555762
2-(1H-benzimidazol-2-yl)-4-[(2-methylphenyl)diazenyl]phenol
CID 136742408
2-(1H-benzimidazol-2-yl)-4-[(4-methylphenyl)diazenyl]phenol
CID 136742410
3-(1H-benzimidazol-2-yl)-5-tert-butyl-4-hydroxybenzoic acid
CID 141482753
5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
2-(1H-benzimidazol-2-yl)-6-fluorophenol
CID 168553450
2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole
CID 22475730

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol (CID 168554061) is 2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol is Cc1cc(I)cc(-c2nc3ccccc3[nH]2)c1O.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol?
The InChIKey is DJIAOKWNEVSPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O/c1-8-6-9(15)7-10(13(8)18)14-16-11-4-2-3-5-12(11)17-14/h2-7,18H,1H3,(H,16,17).
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol?
2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol has a molecular weight of 350.16 g/mol, XLogP of 3.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol is sourced from PubChem (CID 168554061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).