(1S)-1-(4-bromothiophen-2-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine

C9H12BrN3S — CID 70317341

IUPAC(1S)-1-(4-bromothiophen-2-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine
SMILESN[C@@H](CC1=NCCN1)c1cc(Br)cs1
InChIInChI=1S/C9H12BrN3S/c10-6-3-8(14-5-6)7(11)4-9-12-1-2-13-9/h3,5,7H,1-2,4,11H2,(H,12,13)/t7-/m0/s1
InChIKeyMQIWHTIHJQZZOW-ZETCQYMHSA-N
MW274.19 g/mol
LogP1.90
Rot. Bonds3

About (1S)-1-(4-bromothiophen-2-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine

(1S)-1-(4-bromothiophen-2-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine (PubChem CID 70317341) has the molecular formula C9H12BrN3S and a molecular weight of 274.19 g/mol. Its IUPAC name is (1S)-1-(4-bromothiophen-2-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromothiophen-2-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine
PubChem CID70317341
Molecular FormulaC9H12BrN3S
Molecular Weight274.19 g/mol
Exact Mass272.99
IUPAC Name(1S)-1-(4-bromothiophen-2-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine
SMILESN[C@@H](CC1=NCCN1)c1cc(Br)cs1
InChIInChI=1S/C9H12BrN3S/c10-6-3-8(14-5-6)7(11)4-9-12-1-2-13-9/h3,5,7H,1-2,4,11H2,(H,12,13)/t7-/m0/s1
InChIKeyMQIWHTIHJQZZOW-ZETCQYMHSA-N
XLogP1.90
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromothiophen-2-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine?
The IUPAC name of (1S)-1-(4-bromothiophen-2-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine (CID 70317341) is (1S)-1-(4-bromothiophen-2-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(4-bromothiophen-2-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(4-bromothiophen-2-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine is N[C@@H](CC1=NCCN1)c1cc(Br)cs1.
What is the InChIKey of (1S)-1-(4-bromothiophen-2-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine?
The InChIKey is MQIWHTIHJQZZOW-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12BrN3S/c10-6-3-8(14-5-6)7(11)4-9-12-1-2-13-9/h3,5,7H,1-2,4,11H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (1S)-1-(4-bromothiophen-2-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine?
(1S)-1-(4-bromothiophen-2-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine has a molecular weight of 274.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromothiophen-2-yl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 70317341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).