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

C10H11BrClN3S — CID 84604361

IUPAC2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine
SMILESCn1c(CCN)nc(-c2cc(Br)cs2)c1Cl
InChIInChI=1S/C10H11BrClN3S/c1-15-8(2-3-13)14-9(10(15)12)7-4-6(11)5-16-7/h4-5H,2-3,13H2,1H3
InChIKeyJYRPRRMTVGPSTI-UHFFFAOYSA-N
MW320.64 g/mol
LogP3.07
Rot. Bonds3

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

2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine (PubChem CID 84604361) has the molecular formula C10H11BrClN3S and a molecular weight of 320.64 g/mol. Its IUPAC name is 2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine
PubChem CID84604361
Molecular FormulaC10H11BrClN3S
Molecular Weight320.64 g/mol
Exact Mass318.95
IUPAC Name2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine
SMILESCn1c(CCN)nc(-c2cc(Br)cs2)c1Cl
InChIInChI=1S/C10H11BrClN3S/c1-15-8(2-3-13)14-9(10(15)12)7-4-6(11)5-16-7/h4-5H,2-3,13H2,1H3
InChIKeyJYRPRRMTVGPSTI-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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Related Compounds

2-[4-(5-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604360
2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine
CID 84609508
2-[5-(5-bromothiophen-2-yl)-4-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604351
[5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82488638
2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 82490213
2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine
CID 82307623
4-bromo-3-(4-bromothiophen-2-yl)-1-methylpyrazol-5-amine
CID 84611020
2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine
CID 82488410
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine
CID 63613660
2-[4-(1,3-benzodioxol-5-yl)-5-bromo-1-methylimidazol-2-yl]ethanamine
CID 84605815
N-[[3-(4-bromothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107355504

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine (CID 84604361) is 2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine is Cn1c(CCN)nc(-c2cc(Br)cs2)c1Cl.
What is the InChIKey of 2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine?
The InChIKey is JYRPRRMTVGPSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3S/c1-15-8(2-3-13)14-9(10(15)12)7-4-6(11)5-16-7/h4-5H,2-3,13H2,1H3.
What are the key properties of 2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine?
2-[4-(4-bromothiophen-2-yl)-5-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-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine is sourced from PubChem (CID 84604361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).