6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid

C12H6FIN2O2S — CID 103436055

IUPAC6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc2[nH]c(-c3csc(I)c3)nc12
InChIInChI=1S/C12H6FIN2O2S/c13-6-2-7(12(17)18)10-8(3-6)15-11(16-10)5-1-9(14)19-4-5/h1-4H,(H,15,16)(H,17,18)
InChIKeyYJOQPRDLTZBILO-UHFFFAOYSA-N
MW388.16 g/mol
LogP3.73
Rot. Bonds2

About 6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid

6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 103436055) has the molecular formula C12H6FIN2O2S and a molecular weight of 388.16 g/mol. Its IUPAC name is 6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid
PubChem CID103436055
Molecular FormulaC12H6FIN2O2S
Molecular Weight388.16 g/mol
Exact Mass387.92
IUPAC Name6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc2[nH]c(-c3csc(I)c3)nc12
InChIInChI=1S/C12H6FIN2O2S/c13-6-2-7(12(17)18)10-8(3-6)15-11(16-10)5-1-9(14)19-4-5/h1-4H,(H,15,16)(H,17,18)
InChIKeyYJOQPRDLTZBILO-UHFFFAOYSA-N
XLogP3.73
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.16
LogP ≤ 53.73
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

6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 103436169
2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435825
6-fluoro-2-(1-methylpyrazol-3-yl)-1H-benzimidazole-4-carboxylic acid
CID 136948243
2-(2-bromo-4-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436100
2-(4-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436111
2-(2,4-dimethyl-1,3-oxazol-5-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435917
6-fluoro-2-(4-methyl-1,3-oxazol-5-yl)-1H-benzimidazole-4-carboxylic acid
CID 103436255
2-(5-bromo-2-chlorophenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103435950
2-(5-ethylfuran-2-yl)-6-fluoro-1H-benzimidazole-4-carboxylic acid
CID 103436113
6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 91318855
6-fluoro-2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
CID 103435877
2-(5-fluoro-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid
CID 113452902

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid (CID 103436055) is 6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cc(F)cc2[nH]c(-c3csc(I)c3)nc12.
What is the InChIKey of 6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is YJOQPRDLTZBILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FIN2O2S/c13-6-2-7(12(17)18)10-8(3-6)15-11(16-10)5-1-9(14)19-4-5/h1-4H,(H,15,16)(H,17,18).
What are the key properties of 6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid?
6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 388.16 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(5-iodothiophen-3-yl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 103436055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).