2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride

C11H13ClN2S — CID 45265499

IUPAC2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1ccc2c(c1)CC(C1=NCCN1)S2
InChIInChI=1S/C11H12N2S.ClH/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11;/h1-4,10H,5-7H2,(H,12,13);1H
InChIKeyRSAVUUNIGIZZDK-UHFFFAOYSA-N
MW240.76 g/mol
LogP2.13
Rot. Bonds1

About 2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride

2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 45265499) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID45265499
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1ccc2c(c1)CC(C1=NCCN1)S2
InChIInChI=1S/C11H12N2S.ClH/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11;/h1-4,10H,5-7H2,(H,12,13);1H
InChIKeyRSAVUUNIGIZZDK-UHFFFAOYSA-N
XLogP2.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride (CID 45265499) is 2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride is Cl.c1ccc2c(c1)CC(C1=NCCN1)S2.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is RSAVUUNIGIZZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S.ClH/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11;/h1-4,10H,5-7H2,(H,12,13);1H.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 240.76 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 45265499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).