2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride

C11H11ClN2S — CID 45262620

IUPAC2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1ccc2sc(C3=NCCN3)cc2c1
InChIInChI=1S/C11H10N2S.ClH/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11;/h1-4,7H,5-6H2,(H,12,13);1H
InChIKeyZIEBKEDZEZFSIK-UHFFFAOYSA-N
MW238.74 g/mol
LogP2.67
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride

2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 45262620) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID45262620
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1ccc2sc(C3=NCCN3)cc2c1
InChIInChI=1S/C11H10N2S.ClH/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11;/h1-4,7H,5-6H2,(H,12,13);1H
InChIKeyZIEBKEDZEZFSIK-UHFFFAOYSA-N
XLogP2.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride (CID 45262620) is 2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride is Cl.c1ccc2sc(C3=NCCN3)cc2c1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is ZIEBKEDZEZFSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S.ClH/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11;/h1-4,7H,5-6H2,(H,12,13);1H.
What are the key properties of 2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 238.74 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 45262620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).