2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol

C15H13IN2O — CID 136885917

IUPAC2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol
SMILESCc1cc(C)c2nc(-c3cc(I)ccc3O)[nH]c2c1
InChIInChI=1S/C15H13IN2O/c1-8-5-9(2)14-12(6-8)17-15(18-14)11-7-10(16)3-4-13(11)19/h3-7,19H,1-2H3,(H,17,18)
InChIKeyDKGXLEAMBSWVDJ-UHFFFAOYSA-N
MW364.19 g/mol
LogP4.16
Rot. Bonds1

About 2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol

2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol (PubChem CID 136885917) has the molecular formula C15H13IN2O and a molecular weight of 364.19 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol.

Molecular Properties

Compound Name2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol
PubChem CID136885917
Molecular FormulaC15H13IN2O
Molecular Weight364.19 g/mol
Exact Mass364.01
IUPAC Name2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol
SMILESCc1cc(C)c2nc(-c3cc(I)ccc3O)[nH]c2c1
InChIInChI=1S/C15H13IN2O/c1-8-5-9(2)14-12(6-8)17-15(18-14)11-7-10(16)3-4-13(11)19/h3-7,19H,1-2H3,(H,17,18)
InChIKeyDKGXLEAMBSWVDJ-UHFFFAOYSA-N
XLogP4.16
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 54.16
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-bromo-1H-benzimidazol-2-yl)-4-iodophenol
CID 136951440
2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole
CID 106854947
4-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 82947385
2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole
CID 114373909
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol
CID 136727863
2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773179
4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 82947476
4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
CID 56773162
3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine
CID 82946515
2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole
CID 90401113
4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 82940862
4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82947294

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol?
The IUPAC name of 2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol (CID 136885917) is 2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol.
What is the SMILES notation for 2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol?
The canonical SMILES for 2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol is Cc1cc(C)c2nc(-c3cc(I)ccc3O)[nH]c2c1.
What is the InChIKey of 2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol?
The InChIKey is DKGXLEAMBSWVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O/c1-8-5-9(2)14-12(6-8)17-15(18-14)11-7-10(16)3-4-13(11)19/h3-7,19H,1-2H3,(H,17,18).
What are the key properties of 2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol?
2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol has a molecular weight of 364.19 g/mol, XLogP of 4.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-iodophenol is sourced from PubChem (CID 136885917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).