4-fluoro-2-(2-iodophenyl)-1H-benzimidazole

C13H8FIN2 — CID 60979206

IUPAC4-fluoro-2-(2-iodophenyl)-1H-benzimidazole
SMILESFc1cccc2[nH]c(-c3ccccc3I)nc12
InChIInChI=1S/C13H8FIN2/c14-9-5-3-7-11-12(9)17-13(16-11)8-4-1-2-6-10(8)15/h1-7H,(H,16,17)
InChIKeyGBPUVNTXJRQJQL-UHFFFAOYSA-N
MW338.12 g/mol
LogP3.97
Rot. Bonds1

About 4-fluoro-2-(2-iodophenyl)-1H-benzimidazole

4-fluoro-2-(2-iodophenyl)-1H-benzimidazole (PubChem CID 60979206) has the molecular formula C13H8FIN2 and a molecular weight of 338.12 g/mol. Its IUPAC name is 4-fluoro-2-(2-iodophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-fluoro-2-(2-iodophenyl)-1H-benzimidazole
PubChem CID60979206
Molecular FormulaC13H8FIN2
Molecular Weight338.12 g/mol
Exact Mass337.97
IUPAC Name4-fluoro-2-(2-iodophenyl)-1H-benzimidazole
SMILESFc1cccc2[nH]c(-c3ccccc3I)nc12
InChIInChI=1S/C13H8FIN2/c14-9-5-3-7-11-12(9)17-13(16-11)8-4-1-2-6-10(8)15/h1-7H,(H,16,17)
InChIKeyGBPUVNTXJRQJQL-UHFFFAOYSA-N
XLogP3.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
2-(2,3-dichlorophenyl)-4-fluoro-1H-benzimidazole
CID 60977717
5-(4-fluoro-1H-benzimidazol-2-yl)quinoxaline
CID 104615382
3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829916
2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 60783667
2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole
CID 103222483
4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 114271483
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 60837691
3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline
CID 63020703
4-fluoro-2-thiophen-2-yl-1H-benzimidazole
CID 60978499

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-iodophenyl)-1H-benzimidazole?
The IUPAC name of 4-fluoro-2-(2-iodophenyl)-1H-benzimidazole (CID 60979206) is 4-fluoro-2-(2-iodophenyl)-1H-benzimidazole.
What is the SMILES notation for 4-fluoro-2-(2-iodophenyl)-1H-benzimidazole?
The canonical SMILES for 4-fluoro-2-(2-iodophenyl)-1H-benzimidazole is Fc1cccc2[nH]c(-c3ccccc3I)nc12.
What is the InChIKey of 4-fluoro-2-(2-iodophenyl)-1H-benzimidazole?
The InChIKey is GBPUVNTXJRQJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FIN2/c14-9-5-3-7-11-12(9)17-13(16-11)8-4-1-2-6-10(8)15/h1-7H,(H,16,17).
What are the key properties of 4-fluoro-2-(2-iodophenyl)-1H-benzimidazole?
4-fluoro-2-(2-iodophenyl)-1H-benzimidazole has a molecular weight of 338.12 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-iodophenyl)-1H-benzimidazole is sourced from PubChem (CID 60979206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).