1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine

C12H15Br2N3S — CID 105012264

IUPAC1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H15Br2N3S/c1-2-4-17-5-3-16-11(17)7-9(15)10-6-8(13)12(14)18-10/h3,5-6,9H,2,4,7,15H2,1H3
InChIKeyKCRDCBIKRYXLPE-UHFFFAOYSA-N
MW393.15 g/mol
LogP4.12
Rot. Bonds5

About 1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine

1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 105012264) has the molecular formula C12H15Br2N3S and a molecular weight of 393.15 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID105012264
Molecular FormulaC12H15Br2N3S
Molecular Weight393.15 g/mol
Exact Mass390.94
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H15Br2N3S/c1-2-4-17-5-3-16-11(17)7-9(15)10-6-8(13)12(14)18-10/h3,5-6,9H,2,4,7,15H2,1H3
InChIKeyKCRDCBIKRYXLPE-UHFFFAOYSA-N
XLogP4.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.15
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323417
1-(4-bromo-3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 114330209
1-(4,5-dibromothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997576
1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012197
1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012477
1-(2-bromo-5-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167671
1-(4-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012373
1-(3,5-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012524
1-(4-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752175
2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanamine
CID 79753140
(1S)-1-(4,5-dibromothiophen-2-yl)pentan-1-amine
CID 171235173
1-(6-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167771

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine (CID 105012264) is 1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(N)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is KCRDCBIKRYXLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N3S/c1-2-4-17-5-3-16-11(17)7-9(15)10-6-8(13)12(14)18-10/h3,5-6,9H,2,4,7,15H2,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine?
1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 393.15 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 105012264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).