5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole

C15H10BrClFIN2 — CID 66087496

IUPAC5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Br)c(F)cc2n1-c1ccccc1I
InChIInChI=1S/C15H10BrClFIN2/c1-8(17)15-20-12-6-9(16)10(18)7-14(12)21(15)13-5-3-2-4-11(13)19/h2-8H,1H3
InChIKeyAGXCBQHYXFMLDZ-UHFFFAOYSA-N
MW479.52 g/mol
LogP5.83
Rot. Bonds2

About 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole

5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole (PubChem CID 66087496) has the molecular formula C15H10BrClFIN2 and a molecular weight of 479.52 g/mol. Its IUPAC name is 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole
PubChem CID66087496
Molecular FormulaC15H10BrClFIN2
Molecular Weight479.52 g/mol
Exact Mass477.87
IUPAC Name5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Br)c(F)cc2n1-c1ccccc1I
InChIInChI=1S/C15H10BrClFIN2/c1-8(17)15-20-12-6-9(16)10(18)7-14(12)21(15)13-5-3-2-4-11(13)19/h2-8H,1H3
InChIKeyAGXCBQHYXFMLDZ-UHFFFAOYSA-N
XLogP5.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.52
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole?
The IUPAC name of 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole (CID 66087496) is 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole is CC(Cl)c1nc2cc(Br)c(F)cc2n1-c1ccccc1I.
What is the InChIKey of 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole?
The InChIKey is AGXCBQHYXFMLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFIN2/c1-8(17)15-20-12-6-9(16)10(18)7-14(12)21(15)13-5-3-2-4-11(13)19/h2-8H,1H3.
What are the key properties of 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole?
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole has a molecular weight of 479.52 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole is sourced from PubChem (CID 66087496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).