N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine

C12H16BrN3S — CID 55240315

IUPACN-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1sccc1Br)c1nccn1CC
InChIInChI=1S/C12H16BrN3S/c1-3-14-10(11-9(13)5-8-17-11)12-15-6-7-16(12)4-2/h5-8,10,14H,3-4H2,1-2H3
InChIKeyLJHBSKUWXMMUPO-UHFFFAOYSA-N
MW314.25 g/mol
LogP3.43
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine

N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine (PubChem CID 55240315) has the molecular formula C12H16BrN3S and a molecular weight of 314.25 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
PubChem CID55240315
Molecular FormulaC12H16BrN3S
Molecular Weight314.25 g/mol
Exact Mass313.02
IUPAC NameN-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1sccc1Br)c1nccn1CC
InChIInChI=1S/C12H16BrN3S/c1-3-14-10(11-9(13)5-8-17-11)12-15-6-7-16(12)4-2/h5-8,10,14H,3-4H2,1-2H3
InChIKeyLJHBSKUWXMMUPO-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylthiophen-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61318152
N-[1-(3-bromothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009218
N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 61314643
N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 65199087
N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81143315
N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043665
N-[(3-bromothiophen-2-yl)-quinoxalin-5-ylmethyl]ethanamine
CID 105172958
N-[(3-bromothiophen-2-yl)-isoquinolin-8-ylmethyl]ethanamine
CID 103138016
N-[(3-bromothiophen-2-yl)-(4-iodophenyl)methyl]ethanamine
CID 80535832
4-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
CID 105149884
N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 63798446
N-[(3-bromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80536090

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine (CID 55240315) is N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine is CCNC(c1sccc1Br)c1nccn1CC.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
The InChIKey is LJHBSKUWXMMUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3S/c1-3-14-10(11-9(13)5-8-17-11)12-15-6-7-16(12)4-2/h5-8,10,14H,3-4H2,1-2H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine has a molecular weight of 314.25 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 55240315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).