4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole

C9H8Br2N2S — CID 130482295

IUPAC4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole
SMILESBrCc1cn(Cc2ccc(Br)s2)cn1
InChIInChI=1S/C9H8Br2N2S/c10-3-7-4-13(6-12-7)5-8-1-2-9(11)14-8/h1-2,4,6H,3,5H2
InChIKeyDUIMWIMMKCBTDL-UHFFFAOYSA-N
MW336.05 g/mol
LogP3.65
Rot. Bonds3

About 4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole

4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole (PubChem CID 130482295) has the molecular formula C9H8Br2N2S and a molecular weight of 336.05 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole
PubChem CID130482295
Molecular FormulaC9H8Br2N2S
Molecular Weight336.05 g/mol
Exact Mass333.88
IUPAC Name4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole
SMILESBrCc1cn(Cc2ccc(Br)s2)cn1
InChIInChI=1S/C9H8Br2N2S/c10-3-7-4-13(6-12-7)5-8-1-2-9(11)14-8/h1-2,4,6H,3,5H2
InChIKeyDUIMWIMMKCBTDL-UHFFFAOYSA-N
XLogP3.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.05
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole?
The IUPAC name of 4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole (CID 130482295) is 4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole.
What is the SMILES notation for 4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole?
The canonical SMILES for 4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole is BrCc1cn(Cc2ccc(Br)s2)cn1.
What is the InChIKey of 4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole?
The InChIKey is DUIMWIMMKCBTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N2S/c10-3-7-4-13(6-12-7)5-8-1-2-9(11)14-8/h1-2,4,6H,3,5H2.
What are the key properties of 4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole?
4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole has a molecular weight of 336.05 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[(5-bromothiophen-2-yl)methyl]imidazole is sourced from PubChem (CID 130482295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).