5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one

C12H12N2OS — CID 116855972

IUPAC5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one
SMILESCN1C(=O)NCC1c1csc2ccccc12
InChIInChI=1S/C12H12N2OS/c1-14-10(6-13-12(14)15)9-7-16-11-5-3-2-4-8(9)11/h2-5,7,10H,6H2,1H3,(H,13,15)
InChIKeyNXJOBVAEPVYXGP-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.60
Rot. Bonds1

About 5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one

5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one (PubChem CID 116855972) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one
PubChem CID116855972
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one
SMILESCN1C(=O)NCC1c1csc2ccccc12
InChIInChI=1S/C12H12N2OS/c1-14-10(6-13-12(14)15)9-7-16-11-5-3-2-4-8(9)11/h2-5,7,10H,6H2,1H3,(H,13,15)
InChIKeyNXJOBVAEPVYXGP-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 138390230
2-(1-benzothiophen-3-yl)piperidine
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4-(1-benzothiophen-3-yl)-3-methylpiperidine
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CID 171194953
2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 71897725
1-methyl-5-(1H-pyrrol-3-yl)imidazolidin-2-one
CID 116855920
(5R)-5-benzyl-1-methylimidazolidin-2-one
CID 95426077
1-(1-benzothiophen-3-ylmethyl)-3-methyl-1,4-diazepan-2-one
CID 63736749
3-[(dimethylamino)methyl]thiochromen-4-one
CID 54078059
5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one
CID 105457665
3,5-bis(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbaldehyde
CID 54554473

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one?
The IUPAC name of 5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one (CID 116855972) is 5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one.
What is the SMILES notation for 5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one?
The canonical SMILES for 5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one is CN1C(=O)NCC1c1csc2ccccc12.
What is the InChIKey of 5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one?
The InChIKey is NXJOBVAEPVYXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-14-10(6-13-12(14)15)9-7-16-11-5-3-2-4-8(9)11/h2-5,7,10H,6H2,1H3,(H,13,15).
What are the key properties of 5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one?
5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one has a molecular weight of 232.31 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-yl)-1-methylimidazolidin-2-one is sourced from PubChem (CID 116855972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).