4-fluoro-5-iodo-1,2-dimethylbenzimidazole

C9H8FIN2 — CID 162381268

IUPAC4-fluoro-5-iodo-1,2-dimethylbenzimidazole
SMILESCc1nc2c(F)c(I)ccc2n1C
InChIInChI=1S/C9H8FIN2/c1-5-12-9-7(13(5)2)4-3-6(11)8(9)10/h3-4H,1-2H3
InChIKeyIFJKYONPTPWXIM-UHFFFAOYSA-N
MW290.08 g/mol
LogP2.63
Rot. Bonds

About 4-fluoro-5-iodo-1,2-dimethylbenzimidazole

4-fluoro-5-iodo-1,2-dimethylbenzimidazole (PubChem CID 162381268) has the molecular formula C9H8FIN2 and a molecular weight of 290.08 g/mol. Its IUPAC name is 4-fluoro-5-iodo-1,2-dimethylbenzimidazole.

Molecular Properties

Compound Name4-fluoro-5-iodo-1,2-dimethylbenzimidazole
PubChem CID162381268
Molecular FormulaC9H8FIN2
Molecular Weight290.08 g/mol
Exact Mass289.97
IUPAC Name4-fluoro-5-iodo-1,2-dimethylbenzimidazole
SMILESCc1nc2c(F)c(I)ccc2n1C
InChIInChI=1S/C9H8FIN2/c1-5-12-9-7(13(5)2)4-3-6(11)8(9)10/h3-4H,1-2H3
InChIKeyIFJKYONPTPWXIM-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.08
LogP ≤ 52.63
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 4-fluoro-5-iodo-1,2-dimethylbenzimidazole?
The IUPAC name of 4-fluoro-5-iodo-1,2-dimethylbenzimidazole (CID 162381268) is 4-fluoro-5-iodo-1,2-dimethylbenzimidazole.
What is the SMILES notation for 4-fluoro-5-iodo-1,2-dimethylbenzimidazole?
The canonical SMILES for 4-fluoro-5-iodo-1,2-dimethylbenzimidazole is Cc1nc2c(F)c(I)ccc2n1C.
What is the InChIKey of 4-fluoro-5-iodo-1,2-dimethylbenzimidazole?
The InChIKey is IFJKYONPTPWXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FIN2/c1-5-12-9-7(13(5)2)4-3-6(11)8(9)10/h3-4H,1-2H3.
What are the key properties of 4-fluoro-5-iodo-1,2-dimethylbenzimidazole?
4-fluoro-5-iodo-1,2-dimethylbenzimidazole has a molecular weight of 290.08 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-1,2-dimethylbenzimidazole is sourced from PubChem (CID 162381268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).