2-(5-bromothiophen-2-yl)-1-methylimidazole

C8H7BrN2S — CID 129415994

IUPAC2-(5-bromothiophen-2-yl)-1-methylimidazole
SMILESCn1ccnc1-c1ccc(Br)s1
InChIInChI=1S/C8H7BrN2S/c1-11-5-4-10-8(11)6-2-3-7(9)12-6/h2-5H,1H3
InChIKeyCFFYNYSLTDYLDU-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.91
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-1-methylimidazole

2-(5-bromothiophen-2-yl)-1-methylimidazole (PubChem CID 129415994) has the molecular formula C8H7BrN2S and a molecular weight of 243.13 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-methylimidazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-methylimidazole
PubChem CID129415994
Molecular FormulaC8H7BrN2S
Molecular Weight243.13 g/mol
Exact Mass241.95
IUPAC Name2-(5-bromothiophen-2-yl)-1-methylimidazole
SMILESCn1ccnc1-c1ccc(Br)s1
InChIInChI=1S/C8H7BrN2S/c1-11-5-4-10-8(11)6-2-3-7(9)12-6/h2-5H,1H3
InChIKeyCFFYNYSLTDYLDU-UHFFFAOYSA-N
XLogP2.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-methylimidazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-methylimidazole (CID 129415994) is 2-(5-bromothiophen-2-yl)-1-methylimidazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-methylimidazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-methylimidazole is Cn1ccnc1-c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-methylimidazole?
The InChIKey is CFFYNYSLTDYLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S/c1-11-5-4-10-8(11)6-2-3-7(9)12-6/h2-5H,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-methylimidazole?
2-(5-bromothiophen-2-yl)-1-methylimidazole has a molecular weight of 243.13 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-methylimidazole is sourced from PubChem (CID 129415994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).