5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride

C10H13ClN2S — CID 19961031

IUPAC5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
SMILESCc1csc(Cc2cnc[nH]2)c1C.Cl
InChIInChI=1S/C10H12N2S.ClH/c1-7-5-13-10(8(7)2)3-9-4-11-6-12-9;/h4-6H,3H2,1-2H3,(H,11,12);1H
InChIKeyGZZNAWUGVJREAO-UHFFFAOYSA-N
MW228.75 g/mol
LogP3.10
Rot. Bonds2

About 5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride

5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride (PubChem CID 19961031) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is 5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
PubChem CID19961031
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
SMILESCc1csc(Cc2cnc[nH]2)c1C.Cl
InChIInChI=1S/C10H12N2S.ClH/c1-7-5-13-10(8(7)2)3-9-4-11-6-12-9;/h4-6H,3H2,1-2H3,(H,11,12);1H
InChIKeyGZZNAWUGVJREAO-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride?
The IUPAC name of 5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride (CID 19961031) is 5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride.
What is the SMILES notation for 5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride?
The canonical SMILES for 5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride is Cc1csc(Cc2cnc[nH]2)c1C.Cl.
What is the InChIKey of 5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride?
The InChIKey is GZZNAWUGVJREAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S.ClH/c1-7-5-13-10(8(7)2)3-9-4-11-6-12-9;/h4-6H,3H2,1-2H3,(H,11,12);1H.
What are the key properties of 5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride?
5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride has a molecular weight of 228.75 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride is sourced from PubChem (CID 19961031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).