5-iodo-2-oxo-3H-benzimidazole-1-carboxylic acid

C8H5IN2O3 — CID 66755034

IUPAC5-iodo-2-oxo-3H-benzimidazole-1-carboxylic acid
SMILESO=C(O)n1c(=O)[nH]c2cc(I)ccc21
InChIInChI=1S/C8H5IN2O3/c9-4-1-2-6-5(3-4)10-7(12)11(6)8(13)14/h1-3H,(H,10,12)(H,13,14)
InChIKeyCXUXCKRTZSXYCS-UHFFFAOYSA-N
MW304.04 g/mol
LogP1.46
Rot. Bonds

About 5-iodo-2-oxo-3H-benzimidazole-1-carboxylic acid

5-iodo-2-oxo-3H-benzimidazole-1-carboxylic acid (PubChem CID 66755034) has the molecular formula C8H5IN2O3 and a molecular weight of 304.04 g/mol. Its IUPAC name is 5-iodo-2-oxo-3H-benzimidazole-1-carboxylic acid.

Molecular Properties

Compound Name5-iodo-2-oxo-3H-benzimidazole-1-carboxylic acid
PubChem CID66755034
Molecular FormulaC8H5IN2O3
Molecular Weight304.04 g/mol
Exact Mass303.93
IUPAC Name5-iodo-2-oxo-3H-benzimidazole-1-carboxylic acid
SMILESO=C(O)n1c(=O)[nH]c2cc(I)ccc21
InChIInChI=1S/C8H5IN2O3/c9-4-1-2-6-5(3-4)10-7(12)11(6)8(13)14/h1-3H,(H,10,12)(H,13,14)
InChIKeyCXUXCKRTZSXYCS-UHFFFAOYSA-N
XLogP1.46
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.04
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-2-oxo-3H-benzimidazole-1-carboxylic acid
CID 68867632
1-(2-chloro-4-iodophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 107607007
5-methyl-2-oxo-3H-benzimidazole-1-carbonyl chloride
CID 21444849
6-amino-3-(cyclopropanecarbonyl)-1H-benzimidazol-2-one
CID 110723889
6-fluoro-3-prop-1-en-2-yl-1H-benzimidazol-2-one
CID 18677024
6-amino-3-(5-oxopyrrolidine-2-carbonyl)-1H-benzimidazol-2-one
CID 110743833
7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid
CID 154197959
2-oxo-3H-benzimidazole-1-carbonyl chloride
CID 10584064
2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride
CID 68841950
3-hexyl-6-iodo-1H-benzimidazole-2-thione
CID 66081531
6-iodo-3-octyl-1H-benzimidazole-2-thione
CID 115569119
6-amino-3-(4-tert-butylbenzoyl)-1H-benzimidazol-2-one
CID 110723951

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-oxo-3H-benzimidazole-1-carboxylic acid?
The IUPAC name of 5-iodo-2-oxo-3H-benzimidazole-1-carboxylic acid (CID 66755034) is 5-iodo-2-oxo-3H-benzimidazole-1-carboxylic acid.
What is the SMILES notation for 5-iodo-2-oxo-3H-benzimidazole-1-carboxylic acid?
The canonical SMILES for 5-iodo-2-oxo-3H-benzimidazole-1-carboxylic acid is O=C(O)n1c(=O)[nH]c2cc(I)ccc21.
What is the InChIKey of 5-iodo-2-oxo-3H-benzimidazole-1-carboxylic acid?
The InChIKey is CXUXCKRTZSXYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O3/c9-4-1-2-6-5(3-4)10-7(12)11(6)8(13)14/h1-3H,(H,10,12)(H,13,14).
What are the key properties of 5-iodo-2-oxo-3H-benzimidazole-1-carboxylic acid?
5-iodo-2-oxo-3H-benzimidazole-1-carboxylic acid has a molecular weight of 304.04 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-oxo-3H-benzimidazole-1-carboxylic acid is sourced from PubChem (CID 66755034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).