1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole

C8H6BrIN2S — CID 130652067

IUPAC1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole
SMILESBrc1cc(Cn2ccnc2I)cs1
InChIInChI=1S/C8H6BrIN2S/c9-7-3-6(5-13-7)4-12-2-1-11-8(12)10/h1-3,5H,4H2
InChIKeyZAFLPLMJIHSLII-UHFFFAOYSA-N
MW369.03 g/mol
LogP3.36
Rot. Bonds2

About 1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole

1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole (PubChem CID 130652067) has the molecular formula C8H6BrIN2S and a molecular weight of 369.03 g/mol. Its IUPAC name is 1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole.

Molecular Properties

Compound Name1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole
PubChem CID130652067
Molecular FormulaC8H6BrIN2S
Molecular Weight369.03 g/mol
Exact Mass367.85
IUPAC Name1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole
SMILESBrc1cc(Cn2ccnc2I)cs1
InChIInChI=1S/C8H6BrIN2S/c9-7-3-6(5-13-7)4-12-2-1-11-8(12)10/h1-3,5H,4H2
InChIKeyZAFLPLMJIHSLII-UHFFFAOYSA-N
XLogP3.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.03
LogP ≤ 53.36
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

1-[(5-bromothiophen-3-yl)methyl]imidazole
CID 130660230
1-[(3-chlorophenyl)methyl]-2-iodoimidazole
CID 131631931
1-[(5-bromothiophen-3-yl)methyl]pyrrole-2-carboxylic acid
CID 131036390
2-(chloromethyl)-1-[(5-chlorothiophen-3-yl)methyl]imidazole
CID 130657725
1-[(5-bromothiophen-3-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 47044678
1-[(5-chlorothiophen-3-yl)methyl]imidazole-2-carbaldehyde
CID 131182003
N-[(5-bromothiophen-3-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 115900750
(5-bromothiophen-3-yl)methanamine
CID 23533436
2-(2-iodoimidazol-1-yl)ethanol
CID 126999372
1-[(5-bromothiophen-3-yl)methyl]-3-nitro-1,2,4-triazole
CID 47058564
2-iodo-1-(naphthalen-1-ylmethyl)imidazole
CID 102402216
3-[(5-bromothiophen-3-yl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 62702540

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole?
The IUPAC name of 1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole (CID 130652067) is 1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole.
What is the SMILES notation for 1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole?
The canonical SMILES for 1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole is Brc1cc(Cn2ccnc2I)cs1.
What is the InChIKey of 1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole?
The InChIKey is ZAFLPLMJIHSLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrIN2S/c9-7-3-6(5-13-7)4-12-2-1-11-8(12)10/h1-3,5H,4H2.
What are the key properties of 1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole?
1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole has a molecular weight of 369.03 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-3-yl)methyl]-2-iodoimidazole is sourced from PubChem (CID 130652067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).