3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid

C14H8FIN2O2 — CID 115933592

IUPAC3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2ncn(-c3ccc(F)cc3I)c12
InChIInChI=1S/C14H8FIN2O2/c15-8-4-5-12(10(16)6-8)18-7-17-11-3-1-2-9(13(11)18)14(19)20/h1-7H,(H,19,20)
InChIKeyRWTVFBDTELTDOG-UHFFFAOYSA-N
MW382.13 g/mol
LogP3.47
Rot. Bonds2

About 3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid

3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid (PubChem CID 115933592) has the molecular formula C14H8FIN2O2 and a molecular weight of 382.13 g/mol. Its IUPAC name is 3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid
PubChem CID115933592
Molecular FormulaC14H8FIN2O2
Molecular Weight382.13 g/mol
Exact Mass381.96
IUPAC Name3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2ncn(-c3ccc(F)cc3I)c12
InChIInChI=1S/C14H8FIN2O2/c15-8-4-5-12(10(16)6-8)18-7-17-11-3-1-2-9(13(11)18)14(19)20/h1-7H,(H,19,20)
InChIKeyRWTVFBDTELTDOG-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.13
LogP ≤ 53.47
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-(2-iodophenyl)benzimidazole-4-carboxylic acid
CID 112577044
3-(2,4-dimethylphenyl)benzimidazole-4-carboxylic acid
CID 115932632
2-(benzimidazol-1-yl)-5-fluorobenzoic acid
CID 43313103
3-(4-methoxy-2-methylphenyl)benzimidazole-4-carboxylic acid
CID 115933322
3-[(2,5-difluorophenyl)methyl]benzimidazole-4-carboxylic acid
CID 115933385
3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid
CID 107602181
3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid
CID 115933623
3-(5-chloro-2-methoxyphenyl)benzimidazole-4-carboxylic acid
CID 115932710
3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid
CID 107464232
3-(2-chloro-4-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115932773
3-thiophen-3-ylbenzimidazole-4-carboxylic acid
CID 112577374
3-(3-chloro-4-methylphenyl)benzimidazole-4-carboxylic acid
CID 115932693

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid (CID 115933592) is 3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid is O=C(O)c1cccc2ncn(-c3ccc(F)cc3I)c12.
What is the InChIKey of 3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid?
The InChIKey is RWTVFBDTELTDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FIN2O2/c15-8-4-5-12(10(16)6-8)18-7-17-11-3-1-2-9(13(11)18)14(19)20/h1-7H,(H,19,20).
What are the key properties of 3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid?
3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid has a molecular weight of 382.13 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115933592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).