3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one

C16H25N3OS — CID 106021786

IUPAC3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCC1NC(c2cccs2)N(CC2CCCN2C)C1=O
InChIInChI=1S/C16H25N3OS/c1-3-6-13-16(20)19(11-12-7-4-9-18(12)2)15(17-13)14-8-5-10-21-14/h5,8,10,12-13,15,17H,3-4,6-7,9,11H2,1-2H3
InChIKeyBHGJDCUCUXKBMO-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.44
Rot. Bonds5

About 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one

3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 106021786) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID106021786
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCCC1NC(c2cccs2)N(CC2CCCN2C)C1=O
InChIInChI=1S/C16H25N3OS/c1-3-6-13-16(20)19(11-12-7-4-9-18(12)2)15(17-13)14-8-5-10-21-14/h5,8,10,12-13,15,17H,3-4,6-7,9,11H2,1-2H3
InChIKeyBHGJDCUCUXKBMO-UHFFFAOYSA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one (CID 106021786) is 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one is CCCC1NC(c2cccs2)N(CC2CCCN2C)C1=O.
What is the InChIKey of 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is BHGJDCUCUXKBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-3-6-13-16(20)19(11-12-7-4-9-18(12)2)15(17-13)14-8-5-10-21-14/h5,8,10,12-13,15,17H,3-4,6-7,9,11H2,1-2H3.
What are the key properties of 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one?
3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 307.46 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propyl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 106021786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).