2-[2-(thiophen-2-ylmethyl)-1H-imidazol-5-yl]ethanamine

C10H13N3S — CID 10058864

IUPAC2-[2-(thiophen-2-ylmethyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(Cc2cccs2)[nH]1
InChIInChI=1S/C10H13N3S/c11-4-3-8-7-12-10(13-8)6-9-2-1-5-14-9/h1-2,5,7H,3-4,6,11H2,(H,12,13)
InChIKeyQZPLUUKMPYGIGT-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.56
Rot. Bonds4

About 2-[2-(thiophen-2-ylmethyl)-1H-imidazol-5-yl]ethanamine

2-[2-(thiophen-2-ylmethyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 10058864) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-[2-(thiophen-2-ylmethyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(thiophen-2-ylmethyl)-1H-imidazol-5-yl]ethanamine
PubChem CID10058864
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-[2-(thiophen-2-ylmethyl)-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(Cc2cccs2)[nH]1
InChIInChI=1S/C10H13N3S/c11-4-3-8-7-12-10(13-8)6-9-2-1-5-14-9/h1-2,5,7H,3-4,6,11H2,(H,12,13)
InChIKeyQZPLUUKMPYGIGT-UHFFFAOYSA-N
XLogP1.56
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-imidazole
CID 9815633
4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837136
5-[(3-methylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 9837284
5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
CID 10487999
4-[1-(3-Bromo-thiophen-2-yl)-ethyl]-1H-imidazole
CID 10706270
5-[(3-bromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 19961016
5-[1-(3-bromothiophen-2-yl)ethyl]-1H-imidazole;hydrochloride
CID 19961018
5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 19961031
4-[(thiophen-2-yl)methyl]-1H-imidazole hydrochloride
CID 49861211
5-[(3,4-dibromothiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 24848624
1H-Imidazole, 5-(6,7-dihydrobenzo[b]thien-4-yl)-
CID 9815610
4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837106

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiophen-2-ylmethyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(thiophen-2-ylmethyl)-1H-imidazol-5-yl]ethanamine (CID 10058864) is 2-[2-(thiophen-2-ylmethyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(thiophen-2-ylmethyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(thiophen-2-ylmethyl)-1H-imidazol-5-yl]ethanamine is NCCc1cnc(Cc2cccs2)[nH]1.
What is the InChIKey of 2-[2-(thiophen-2-ylmethyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is QZPLUUKMPYGIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c11-4-3-8-7-12-10(13-8)6-9-2-1-5-14-9/h1-2,5,7H,3-4,6,11H2,(H,12,13).
What are the key properties of 2-[2-(thiophen-2-ylmethyl)-1H-imidazol-5-yl]ethanamine?
2-[2-(thiophen-2-ylmethyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 207.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiophen-2-ylmethyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 10058864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).