5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one

C17H26N2O2 — CID 83247255

IUPAC5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one
SMILESCCC(C)C1NC(c2cccc(C)c2)N(CCOC)C1=O
InChIInChI=1S/C17H26N2O2/c1-5-13(3)15-17(20)19(9-10-21-4)16(18-15)14-8-6-7-12(2)11-14/h6-8,11,13,15-16,18H,5,9-10H2,1-4H3
InChIKeyXFJMBZBTJZMXHF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.49
Rot. Bonds6

About 5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one

5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one (PubChem CID 83247255) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one
PubChem CID83247255
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one
SMILESCCC(C)C1NC(c2cccc(C)c2)N(CCOC)C1=O
InChIInChI=1S/C17H26N2O2/c1-5-13(3)15-17(20)19(9-10-21-4)16(18-15)14-8-6-7-12(2)11-14/h6-8,11,13,15-16,18H,5,9-10H2,1-4H3
InChIKeyXFJMBZBTJZMXHF-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one (CID 83247255) is 5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one is CCC(C)C1NC(c2cccc(C)c2)N(CCOC)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one?
The InChIKey is XFJMBZBTJZMXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-13(3)15-17(20)19(9-10-21-4)16(18-15)14-8-6-7-12(2)11-14/h6-8,11,13,15-16,18H,5,9-10H2,1-4H3.
What are the key properties of 5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one?
5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(2-methoxyethyl)-2-(3-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83247255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).