2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine

C10H11BrClN3S — CID 84604351

IUPAC2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine
SMILESCn1c(CCN)nc(Cl)c1-c1ccc(Br)s1
InChIInChI=1S/C10H11BrClN3S/c1-15-8(4-5-13)14-10(12)9(15)6-2-3-7(11)16-6/h2-3H,4-5,13H2,1H3
InChIKeyDEVIKJUYLWNWCG-UHFFFAOYSA-N
MW320.64 g/mol
LogP3.07
Rot. Bonds3

About 2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine

2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine (PubChem CID 84604351) has the molecular formula C10H11BrClN3S and a molecular weight of 320.64 g/mol. Its IUPAC name is 2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine
PubChem CID84604351
Molecular FormulaC10H11BrClN3S
Molecular Weight320.64 g/mol
Exact Mass318.95
IUPAC Name2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine
SMILESCn1c(CCN)nc(Cl)c1-c1ccc(Br)s1
InChIInChI=1S/C10H11BrClN3S/c1-15-8(4-5-13)14-10(12)9(15)6-2-3-7(11)16-6/h2-3H,4-5,13H2,1H3
InChIKeyDEVIKJUYLWNWCG-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.64
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine (CID 84604351) is 2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine is Cn1c(CCN)nc(Cl)c1-c1ccc(Br)s1.
What is the InChIKey of 2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine?
The InChIKey is DEVIKJUYLWNWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3S/c1-15-8(4-5-13)14-10(12)9(15)6-2-3-7(11)16-6/h2-3H,4-5,13H2,1H3.
What are the key properties of 2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine?
2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine has a molecular weight of 320.64 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine is sourced from PubChem (CID 84604351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).