2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one

C14H27N3O — CID 83256770

IUPAC2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one
SMILESCCC1NC(CC)N(CC2CCN(CC)C2)C1=O
InChIInChI=1S/C14H27N3O/c1-4-12-14(18)17(13(5-2)15-12)10-11-7-8-16(6-3)9-11/h11-13,15H,4-10H2,1-3H3
InChIKeyQUWYVDCDEHBCQT-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.27
Rot. Bonds5

About 2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one

2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one (PubChem CID 83256770) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one
PubChem CID83256770
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one
SMILESCCC1NC(CC)N(CC2CCN(CC)C2)C1=O
InChIInChI=1S/C14H27N3O/c1-4-12-14(18)17(13(5-2)15-12)10-11-7-8-16(6-3)9-11/h11-13,15H,4-10H2,1-3H3
InChIKeyQUWYVDCDEHBCQT-UHFFFAOYSA-N
XLogP1.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one?
The IUPAC name of 2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one (CID 83256770) is 2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one.
What is the SMILES notation for 2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one?
The canonical SMILES for 2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one is CCC1NC(CC)N(CC2CCN(CC)C2)C1=O.
What is the InChIKey of 2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one?
The InChIKey is QUWYVDCDEHBCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-12-14(18)17(13(5-2)15-12)10-11-7-8-16(6-3)9-11/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one?
2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one has a molecular weight of 253.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one is sourced from PubChem (CID 83256770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).