5-fluoro-2-iodo-1-methylbenzimidazole

C8H6FIN2 — CID 68858262

IUPAC5-fluoro-2-iodo-1-methylbenzimidazole
SMILESCn1c(I)nc2cc(F)ccc21
InChIInChI=1S/C8H6FIN2/c1-12-7-3-2-5(9)4-6(7)11-8(12)10/h2-4H,1H3
InChIKeyTVMSAUZFFSPVHB-UHFFFAOYSA-N
MW276.05 g/mol
LogP2.32
Rot. Bonds

About 5-fluoro-2-iodo-1-methylbenzimidazole

5-fluoro-2-iodo-1-methylbenzimidazole (PubChem CID 68858262) has the molecular formula C8H6FIN2 and a molecular weight of 276.05 g/mol. Its IUPAC name is 5-fluoro-2-iodo-1-methylbenzimidazole.

Molecular Properties

Compound Name5-fluoro-2-iodo-1-methylbenzimidazole
PubChem CID68858262
Molecular FormulaC8H6FIN2
Molecular Weight276.05 g/mol
Exact Mass275.96
IUPAC Name5-fluoro-2-iodo-1-methylbenzimidazole
SMILESCn1c(I)nc2cc(F)ccc21
InChIInChI=1S/C8H6FIN2/c1-12-7-3-2-5(9)4-6(7)11-8(12)10/h2-4H,1H3
InChIKeyTVMSAUZFFSPVHB-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.05
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-iodo-1-methylbenzimidazole?
The IUPAC name of 5-fluoro-2-iodo-1-methylbenzimidazole (CID 68858262) is 5-fluoro-2-iodo-1-methylbenzimidazole.
What is the SMILES notation for 5-fluoro-2-iodo-1-methylbenzimidazole?
The canonical SMILES for 5-fluoro-2-iodo-1-methylbenzimidazole is Cn1c(I)nc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-2-iodo-1-methylbenzimidazole?
The InChIKey is TVMSAUZFFSPVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FIN2/c1-12-7-3-2-5(9)4-6(7)11-8(12)10/h2-4H,1H3.
What are the key properties of 5-fluoro-2-iodo-1-methylbenzimidazole?
5-fluoro-2-iodo-1-methylbenzimidazole has a molecular weight of 276.05 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-iodo-1-methylbenzimidazole is sourced from PubChem (CID 68858262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).