1-(1-benzothiophen-3-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one

C21H21N3OS — CID 45273273

IUPAC1-(1-benzothiophen-3-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2Cc3ccccc3C2)CCN1c1csc2ccccc12
InChIInChI=1S/C21H21N3OS/c25-21-23(10-9-22-13-16-5-1-2-6-17(16)14-22)11-12-24(21)19-15-26-20-8-4-3-7-18(19)20/h1-8,15H,9-14H2
InChIKeyZVQVWCQOAHBIGN-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.16
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one

1-(1-benzothiophen-3-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (PubChem CID 45273273) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
PubChem CID45273273
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name1-(1-benzothiophen-3-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2Cc3ccccc3C2)CCN1c1csc2ccccc12
InChIInChI=1S/C21H21N3OS/c25-21-23(10-9-22-13-16-5-1-2-6-17(16)14-22)11-12-24(21)19-15-26-20-8-4-3-7-18(19)20/h1-8,15H,9-14H2
InChIKeyZVQVWCQOAHBIGN-UHFFFAOYSA-N
XLogP4.16
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one (CID 45273273) is 1-(1-benzothiophen-3-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
The InChIKey is ZVQVWCQOAHBIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c25-21-23(10-9-22-13-16-5-1-2-6-17(16)14-22)11-12-24(21)19-15-26-20-8-4-3-7-18(19)20/h1-8,15H,9-14H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one?
1-(1-benzothiophen-3-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one has a molecular weight of 363.49 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 45273273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).