1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine

C10H11Br2N3S — CID 80536178

IUPAC1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1ncc[nH]1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H11Br2N3S/c1-13-7(5-9-14-2-3-15-9)8-4-6(11)10(12)16-8/h2-4,7,13H,5H2,1H3,(H,14,15)
InChIKeyJCVMEELNIYEKEO-UHFFFAOYSA-N
MW365.09 g/mol
LogP3.50
Rot. Bonds4

About 1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine

1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine (PubChem CID 80536178) has the molecular formula C10H11Br2N3S and a molecular weight of 365.09 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
PubChem CID80536178
Molecular FormulaC10H11Br2N3S
Molecular Weight365.09 g/mol
Exact Mass362.90
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1ncc[nH]1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H11Br2N3S/c1-13-7(5-9-14-2-3-15-9)8-4-6(11)10(12)16-8/h2-4,7,13H,5H2,1H3,(H,14,15)
InChIKeyJCVMEELNIYEKEO-UHFFFAOYSA-N
XLogP3.50
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.09
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 81260992
1-(2-bromo-5-methylphenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 81110287
1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 80532976
1-(3-bromo-5-fluorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487055
1-(5-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487053
1-(4-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43805254
2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
CID 43607987
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 104996756
1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830504
N-[1-(2,5-dibromothiophen-3-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 114021154
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 104998520
2-(1H-imidazol-2-yl)-N-methyl-1-(1H-pyrazol-5-yl)ethanamine
CID 82239716

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine (CID 80536178) is 1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine is CNC(Cc1ncc[nH]1)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
The InChIKey is JCVMEELNIYEKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N3S/c1-13-7(5-9-14-2-3-15-9)8-4-6(11)10(12)16-8/h2-4,7,13H,5H2,1H3,(H,14,15).
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine has a molecular weight of 365.09 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 80536178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).