2-fluoro-4,7-diiodo-1H-benzimidazole

C7H3FI2N2 — CID 131194930

IUPAC2-fluoro-4,7-diiodo-1H-benzimidazole
SMILESFc1nc2c(I)ccc(I)c2[nH]1
InChIInChI=1S/C7H3FI2N2/c8-7-11-5-3(9)1-2-4(10)6(5)12-7/h1-2H,(H,11,12)
InChIKeyLWJKJVVEKHSUAQ-UHFFFAOYSA-N
MW387.92 g/mol
LogP2.91
Rot. Bonds

About 2-fluoro-4,7-diiodo-1H-benzimidazole

2-fluoro-4,7-diiodo-1H-benzimidazole (PubChem CID 131194930) has the molecular formula C7H3FI2N2 and a molecular weight of 387.92 g/mol. Its IUPAC name is 2-fluoro-4,7-diiodo-1H-benzimidazole.

Molecular Properties

Compound Name2-fluoro-4,7-diiodo-1H-benzimidazole
PubChem CID131194930
Molecular FormulaC7H3FI2N2
Molecular Weight387.92 g/mol
Exact Mass387.84
IUPAC Name2-fluoro-4,7-diiodo-1H-benzimidazole
SMILESFc1nc2c(I)ccc(I)c2[nH]1
InChIInChI=1S/C7H3FI2N2/c8-7-11-5-3(9)1-2-4(10)6(5)12-7/h1-2H,(H,11,12)
InChIKeyLWJKJVVEKHSUAQ-UHFFFAOYSA-N
XLogP2.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 52.91
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

7-iodo-2,4-dimethyl-1H-benzimidazole
CID 133055753
2-bromo-4-(bromomethyl)-7-iodo-1H-benzimidazole
CID 130924477
2,6-bis(4-fluorophenyl)-3-iodopyridine
CID 46313594
6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol
CID 168555762
2-fluoro-3-iodo-6-methylsulfanylpyridine
CID 131072382
2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole
CID 103222483
2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid
CID 131285842
4-fluoro-2-(2-iodophenyl)-1H-benzimidazole
CID 60979206
2,6-dichloro-8-fluoro-7H-purine
CID 155660554
2-(difluoromethoxy)-6-fluoro-3-iodopyridine
CID 119004423
4-fluoro-5-iodo-1,2-dimethylbenzimidazole
CID 162381268
4-(chloromethyl)-7-iodo-1H-benzimidazole
CID 130934090

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,7-diiodo-1H-benzimidazole?
The IUPAC name of 2-fluoro-4,7-diiodo-1H-benzimidazole (CID 131194930) is 2-fluoro-4,7-diiodo-1H-benzimidazole.
What is the SMILES notation for 2-fluoro-4,7-diiodo-1H-benzimidazole?
The canonical SMILES for 2-fluoro-4,7-diiodo-1H-benzimidazole is Fc1nc2c(I)ccc(I)c2[nH]1.
What is the InChIKey of 2-fluoro-4,7-diiodo-1H-benzimidazole?
The InChIKey is LWJKJVVEKHSUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3FI2N2/c8-7-11-5-3(9)1-2-4(10)6(5)12-7/h1-2H,(H,11,12).
What are the key properties of 2-fluoro-4,7-diiodo-1H-benzimidazole?
2-fluoro-4,7-diiodo-1H-benzimidazole has a molecular weight of 387.92 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,7-diiodo-1H-benzimidazole is sourced from PubChem (CID 131194930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).