1-(1-benzothiophen-2-yl)-3-methylimidazolidin-2-one

C12H12N2OS — CID 166448668

IUPAC1-(1-benzothiophen-2-yl)-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cc3ccccc3s2)C1=O
InChIInChI=1S/C12H12N2OS/c1-13-6-7-14(12(13)15)11-8-9-4-2-3-5-10(9)16-11/h2-5,8H,6-7H2,1H3
InChIKeyNXPBBPYQMRBBBQ-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.77
Rot. Bonds1

About 1-(1-benzothiophen-2-yl)-3-methylimidazolidin-2-one

1-(1-benzothiophen-2-yl)-3-methylimidazolidin-2-one (PubChem CID 166448668) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-3-methylimidazolidin-2-one
PubChem CID166448668
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name1-(1-benzothiophen-2-yl)-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cc3ccccc3s2)C1=O
InChIInChI=1S/C12H12N2OS/c1-13-6-7-14(12(13)15)11-8-9-4-2-3-5-10(9)16-11/h2-5,8H,6-7H2,1H3
InChIKeyNXPBBPYQMRBBBQ-UHFFFAOYSA-N
XLogP2.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(1-benzothiophen-2-yl)-3-methylimidazolidin-2-one (CID 166448668) is 1-(1-benzothiophen-2-yl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-3-methylimidazolidin-2-one is CN1CCN(c2cc3ccccc3s2)C1=O.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-3-methylimidazolidin-2-one?
The InChIKey is NXPBBPYQMRBBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-13-6-7-14(12(13)15)11-8-9-4-2-3-5-10(9)16-11/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-3-methylimidazolidin-2-one?
1-(1-benzothiophen-2-yl)-3-methylimidazolidin-2-one has a molecular weight of 232.31 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 166448668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).