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

C13H14N2S — CID 162640519

IUPAC2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole
SMILES[2H]C([2H])([2H])c1sc2ccccc2c1CC1=NCCN1
InChIInChI=1S/C13H14N2S/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)/i1D3
InChIKeyNDNKHWUXXOFHTD-FIBGUPNXSA-N
MW233.35 g/mol
LogP2.75
Rot. Bonds3

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

2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole (PubChem CID 162640519) has the molecular formula C13H14N2S and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole
PubChem CID162640519
Molecular FormulaC13H14N2S
Molecular Weight233.35 g/mol
Exact Mass233.11
IUPAC Name2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole
SMILES[2H]C([2H])([2H])c1sc2ccccc2c1CC1=NCCN1
InChIInChI=1S/C13H14N2S/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)/i1D3
InChIKeyNDNKHWUXXOFHTD-FIBGUPNXSA-N
XLogP2.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.75
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?
The IUPAC name of 2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole (CID 162640519) is 2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole is [2H]C([2H])([2H])c1sc2ccccc2c1CC1=NCCN1.
What is the InChIKey of 2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is NDNKHWUXXOFHTD-FIBGUPNXSA-N. The full InChI is InChI=1S/C13H14N2S/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)/i1D3.
What are the key properties of 2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole?
2-[[2-(trideuteriomethyl)-1-benzothiophen-3-yl]methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 233.35 g/mol, XLogP of 2.75, 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 is sourced from PubChem (CID 162640519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).