5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride

C10H13ClN2S — CID 19961030

IUPAC5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride
SMILESCc1ccsc1C(C)c1cnc[nH]1.Cl
InChIInChI=1S/C10H12N2S.ClH/c1-7-3-4-13-10(7)8(2)9-5-11-6-12-9;/h3-6,8H,1-2H3,(H,11,12);1H
InChIKeyZPQPGCMMABUVNS-UHFFFAOYSA-N
MW228.75 g/mol
LogP3.35
Rot. Bonds2

About 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride

5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride (PubChem CID 19961030) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride
PubChem CID19961030
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride
SMILESCc1ccsc1C(C)c1cnc[nH]1.Cl
InChIInChI=1S/C10H12N2S.ClH/c1-7-3-4-13-10(7)8(2)9-5-11-6-12-9;/h3-6,8H,1-2H3,(H,11,12);1H
InChIKeyZPQPGCMMABUVNS-UHFFFAOYSA-N
XLogP3.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride?
The IUPAC name of 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride (CID 19961030) is 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride.
What is the SMILES notation for 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride?
The canonical SMILES for 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride is Cc1ccsc1C(C)c1cnc[nH]1.Cl.
What is the InChIKey of 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride?
The InChIKey is ZPQPGCMMABUVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S.ClH/c1-7-3-4-13-10(7)8(2)9-5-11-6-12-9;/h3-6,8H,1-2H3,(H,11,12);1H.
What are the key properties of 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride?
5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride has a molecular weight of 228.75 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole;hydrochloride is sourced from PubChem (CID 19961030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).