3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one

C15H21N3OS — CID 83238326

IUPAC3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2C2CN3CCC2CC3)s1
InChIInChI=1S/C15H21N3OS/c1-10-2-3-13(20-10)15-16-8-14(19)18(15)12-9-17-6-4-11(12)5-7-17/h2-3,11-12,15-16H,4-9H2,1H3
InChIKeyJCGZYLNQQVZRQK-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.58
Rot. Bonds2

About 3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one

3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 83238326) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID83238326
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2C2CN3CCC2CC3)s1
InChIInChI=1S/C15H21N3OS/c1-10-2-3-13(20-10)15-16-8-14(19)18(15)12-9-17-6-4-11(12)5-7-17/h2-3,11-12,15-16H,4-9H2,1H3
InChIKeyJCGZYLNQQVZRQK-UHFFFAOYSA-N
XLogP1.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one with MolForge

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Related Compounds

3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243272
3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83254899
3-(2-methyloxolan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83260117
3-(3-methylcyclopentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 114552339
3-[(1-methylpiperidin-2-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83245106
3-[2-(4-methylcyclohexyl)ethyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83262823
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83255799
3-(cyclohexylmethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244089
3-(1-cyclopropylbutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83264382
3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83259327
2-(5-methylthiophen-2-yl)-3-(thiolan-3-ylmethyl)imidazolidin-4-one
CID 107299016
2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one
CID 83260835

Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 83238326) is 3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one is Cc1ccc(C2NCC(=O)N2C2CN3CCC2CC3)s1.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is JCGZYLNQQVZRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10-2-3-13(20-10)15-16-8-14(19)18(15)12-9-17-6-4-11(12)5-7-17/h2-3,11-12,15-16H,4-9H2,1H3.
What are the key properties of 3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 291.42 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83238326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).