3-(4-iodophenyl)benzimidazole-5-carboxylic acid

C14H9IN2O2 — CID 82790830

IUPAC3-(4-iodophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(-c3ccc(I)cc3)c2c1
InChIInChI=1S/C14H9IN2O2/c15-10-2-4-11(5-3-10)17-8-16-12-6-1-9(14(18)19)7-13(12)17/h1-8H,(H,18,19)
InChIKeyQDUUSEYFOQFIRO-UHFFFAOYSA-N
MW364.14 g/mol
LogP3.33
Rot. Bonds2

About 3-(4-iodophenyl)benzimidazole-5-carboxylic acid

3-(4-iodophenyl)benzimidazole-5-carboxylic acid (PubChem CID 82790830) has the molecular formula C14H9IN2O2 and a molecular weight of 364.14 g/mol. Its IUPAC name is 3-(4-iodophenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-iodophenyl)benzimidazole-5-carboxylic acid
PubChem CID82790830
Molecular FormulaC14H9IN2O2
Molecular Weight364.14 g/mol
Exact Mass363.97
IUPAC Name3-(4-iodophenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(-c3ccc(I)cc3)c2c1
InChIInChI=1S/C14H9IN2O2/c15-10-2-4-11(5-3-10)17-8-16-12-6-1-9(14(18)19)7-13(12)17/h1-8H,(H,18,19)
InChIKeyQDUUSEYFOQFIRO-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)benzimidazole-5-carboxylic acid
CID 82790283
3-(2-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790606
3-(3-bromo-5-methylphenyl)benzimidazole-5-carboxylic acid
CID 107576704
3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 166873730
3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid
CID 66550615
3-(2,5-dichloro-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 104727768
3-[3-chloro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]benzimidazole-5-carboxylic acid
CID 121399312
4-(5-bromobenzimidazol-1-yl)benzoic acid
CID 167161055
3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid
CID 82774507
3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid
CID 82790901
3-(4-chloro-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790998
3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790695

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(4-iodophenyl)benzimidazole-5-carboxylic acid (CID 82790830) is 3-(4-iodophenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-iodophenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(4-iodophenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2ncn(-c3ccc(I)cc3)c2c1.
What is the InChIKey of 3-(4-iodophenyl)benzimidazole-5-carboxylic acid?
The InChIKey is QDUUSEYFOQFIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN2O2/c15-10-2-4-11(5-3-10)17-8-16-12-6-1-9(14(18)19)7-13(12)17/h1-8H,(H,18,19).
What are the key properties of 3-(4-iodophenyl)benzimidazole-5-carboxylic acid?
3-(4-iodophenyl)benzimidazole-5-carboxylic acid has a molecular weight of 364.14 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82790830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).