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

C15H20N2OS — CID 146464324

IUPACethanol;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESCCO.Cc1sc2ccccc2c1CC1=NCCN1
InChIInChI=1S/C13H14N2S.C2H6O/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9;1-2-3/h2-5H,6-8H2,1H3,(H,14,15);3H,2H2,1H3
InChIKeyYPIVRPIIYQYVBG-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.75
Rot. Bonds2

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

ethanol;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 146464324) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is ethanol;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Nameethanol;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID146464324
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Nameethanol;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESCCO.Cc1sc2ccccc2c1CC1=NCCN1
InChIInChI=1S/C13H14N2S.C2H6O/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9;1-2-3/h2-5H,6-8H2,1H3,(H,14,15);3H,2H2,1H3
InChIKeyYPIVRPIIYQYVBG-UHFFFAOYSA-N
XLogP2.75
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethanol;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of ethanol;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole (CID 146464324) is ethanol;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for ethanol;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for ethanol;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole is CCO.Cc1sc2ccccc2c1CC1=NCCN1.
What is the InChIKey of ethanol;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is YPIVRPIIYQYVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S.C2H6O/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9;1-2-3/h2-5H,6-8H2,1H3,(H,14,15);3H,2H2,1H3.
What are the key properties of ethanol;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole?
ethanol;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 276.41 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 146464324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).