3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one

C16H25N3OS — CID 83252605

IUPAC3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccc(C)s2)N(C2CCN(C)C2)C1=O
InChIInChI=1S/C16H25N3OS/c1-4-5-13-16(20)19(12-8-9-18(3)10-12)15(17-13)14-7-6-11(2)21-14/h6-7,12-13,15,17H,4-5,8-10H2,1-3H3
InChIKeyKHOPMIXTVWXYMP-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.36
Rot. Bonds4

About 3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one

3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one (PubChem CID 83252605) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
PubChem CID83252605
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccc(C)s2)N(C2CCN(C)C2)C1=O
InChIInChI=1S/C16H25N3OS/c1-4-5-13-16(20)19(12-8-9-18(3)10-12)15(17-13)14-7-6-11(2)21-14/h6-7,12-13,15,17H,4-5,8-10H2,1-3H3
InChIKeyKHOPMIXTVWXYMP-UHFFFAOYSA-N
XLogP2.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methylthiophen-2-yl)-3-(oxan-4-yl)-5-propylimidazolidin-4-one
CID 83245482
5-butyl-3-cyclopropyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83242881
3-(2-methylcyclopentyl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
CID 83264047
5-methyl-3-(1-methylpiperidin-4-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244068
5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
CID 83252752
5-ethyl-2-(5-methylthiophen-2-yl)-3-(thiolan-3-yl)imidazolidin-4-one
CID 103065521
3-(3-methylpentan-2-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
CID 83247626
5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-3-(thiolan-3-yl)imidazolidin-4-one
CID 103065430
3-(1,1-dioxothiolan-3-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83237132
3-cycloheptyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243481
3-cyclopropyl-2-(2-methylphenyl)-5-propylimidazolidin-4-one
CID 83243070
5-methyl-3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83249925

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one?
The IUPAC name of 3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one (CID 83252605) is 3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one is CCCC1NC(c2ccc(C)s2)N(C2CCN(C)C2)C1=O.
What is the InChIKey of 3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one?
The InChIKey is KHOPMIXTVWXYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-4-5-13-16(20)19(12-8-9-18(3)10-12)15(17-13)14-7-6-11(2)21-14/h6-7,12-13,15,17H,4-5,8-10H2,1-3H3.
What are the key properties of 3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one?
3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one has a molecular weight of 307.46 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83252605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).