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

C13H15ClN2S — CID 162640518

IUPAC2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.[2H]C([2H])([2H])c1sc2ccccc2c1CC1=NCCN1
InChIInChI=1S/C13H14N2S.ClH/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9;/h2-5H,6-8H2,1H3,(H,14,15);1H/i1D3;
InChIKeyFPTJVMYMFXHIFO-NIIDSAIPSA-N
MW269.82 g/mol
LogP3.18
Rot. Bonds3

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

2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 162640518) has the molecular formula C13H15ClN2S and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID162640518
Molecular FormulaC13H15ClN2S
Molecular Weight269.82 g/mol
Exact Mass269.08
IUPAC Name2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.[2H]C([2H])([2H])c1sc2ccccc2c1CC1=NCCN1
InChIInChI=1S/C13H14N2S.ClH/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9;/h2-5H,6-8H2,1H3,(H,14,15);1H/i1D3;
InChIKeyFPTJVMYMFXHIFO-NIIDSAIPSA-N
XLogP3.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 162640518) is 2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole;hydrochloride is Cl.[2H]C([2H])([2H])c1sc2ccccc2c1CC1=NCCN1.
What is the InChIKey of 2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is FPTJVMYMFXHIFO-NIIDSAIPSA-N. The full InChI is InChI=1S/C13H14N2S.ClH/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9;/h2-5H,6-8H2,1H3,(H,14,15);1H/i1D3;.
What are the key properties of 2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole;hydrochloride?
2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 162640518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).