5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one

C15H28N2O — CID 83264217

IUPAC5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one
SMILESCCCCC1NC(C)N(C(C)C2CCCC2)C1=O
InChIInChI=1S/C15H28N2O/c1-4-5-10-14-15(18)17(12(3)16-14)11(2)13-8-6-7-9-13/h11-14,16H,4-10H2,1-3H3
InChIKeyDFDHYWOYUNVFNN-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.90
Rot. Bonds5

About 5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one

5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one (PubChem CID 83264217) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one
PubChem CID83264217
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one
SMILESCCCCC1NC(C)N(C(C)C2CCCC2)C1=O
InChIInChI=1S/C15H28N2O/c1-4-5-10-14-15(18)17(12(3)16-14)11(2)13-8-6-7-9-13/h11-14,16H,4-10H2,1-3H3
InChIKeyDFDHYWOYUNVFNN-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one (CID 83264217) is 5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one is CCCCC1NC(C)N(C(C)C2CCCC2)C1=O.
What is the InChIKey of 5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one?
The InChIKey is DFDHYWOYUNVFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-5-10-14-15(18)17(12(3)16-14)11(2)13-8-6-7-9-13/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one?
5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one has a molecular weight of 252.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(1-cyclopentylethyl)-2-methylimidazolidin-4-one is sourced from PubChem (CID 83264217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).