1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole

C8H5BrI2N2S — CID 130508233

IUPAC1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole
SMILESBrc1ccc(Cn2cnc(I)c2I)s1
InChIInChI=1S/C8H5BrI2N2S/c9-6-2-1-5(14-6)3-13-4-12-7(10)8(13)11/h1-2,4H,3H2
InChIKeyIPXHZZXHWMHLGZ-UHFFFAOYSA-N
MW494.92 g/mol
LogP3.96
Rot. Bonds2

About 1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole

1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole (PubChem CID 130508233) has the molecular formula C8H5BrI2N2S and a molecular weight of 494.92 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole
PubChem CID130508233
Molecular FormulaC8H5BrI2N2S
Molecular Weight494.92 g/mol
Exact Mass493.74
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole
SMILESBrc1ccc(Cn2cnc(I)c2I)s1
InChIInChI=1S/C8H5BrI2N2S/c9-6-2-1-5(14-6)3-13-4-12-7(10)8(13)11/h1-2,4H,3H2
InChIKeyIPXHZZXHWMHLGZ-UHFFFAOYSA-N
XLogP3.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.92
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-[(5-bromothiophen-2-yl)methyl]-6-methylpyrimidin-4-one
CID 66309812
2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine
CID 114720975
4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole
CID 130482295
1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole
CID 63925248
1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine
CID 106575525
3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one
CID 103124095
1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677217
1-[(5-bromothiophen-2-yl)methyl]-1,2,4-triazole-3-carbothioamide
CID 62949425
N-[[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150168
1-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)propan-2-ol
CID 105087259
1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one
CID 62961960
1-[(5-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 66414474

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole (CID 130508233) is 1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole is Brc1ccc(Cn2cnc(I)c2I)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole?
The InChIKey is IPXHZZXHWMHLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrI2N2S/c9-6-2-1-5(14-6)3-13-4-12-7(10)8(13)11/h1-2,4H,3H2.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole?
1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole has a molecular weight of 494.92 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole is sourced from PubChem (CID 130508233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).