5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one

C17H30N2O — CID 83252000

IUPAC5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one
SMILESCCC(C)C1NC(C(C)C)N(C(C2CC2)C2CC2)C1=O
InChIInChI=1S/C17H30N2O/c1-5-11(4)14-17(20)19(16(18-14)10(2)3)15(12-6-7-12)13-8-9-13/h10-16,18H,5-9H2,1-4H3
InChIKeyPVTBKWQFLAQPGH-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.00
Rot. Bonds6

About 5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one

5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one (PubChem CID 83252000) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one
PubChem CID83252000
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one
SMILESCCC(C)C1NC(C(C)C)N(C(C2CC2)C2CC2)C1=O
InChIInChI=1S/C17H30N2O/c1-5-11(4)14-17(20)19(16(18-14)10(2)3)15(12-6-7-12)13-8-9-13/h10-16,18H,5-9H2,1-4H3
InChIKeyPVTBKWQFLAQPGH-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-3-(dicyclopropylmethyl)-2-methylimidazolidin-4-one
CID 83253008
5-butan-2-yl-3-(5-methylhexan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83264562
5-butan-2-yl-3-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83264271
5-butan-2-yl-3-(1-methoxypentan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83262847
5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-propan-2-ylimidazolidin-4-one
CID 83245017
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-propan-2-ylimidazolidin-4-one
CID 83259293
3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione
CID 64960605
5-butan-2-yl-3-(1-cyclopropylbutan-2-yl)-2-propylimidazolidin-4-one
CID 83263556
5-butan-2-yl-3-(2-morpholin-4-ylethyl)-2-propan-2-ylimidazolidin-4-one
CID 83244982
5-butan-2-yl-2-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83249654
3-pentan-2-yl-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83238814
5-butan-2-yl-3-(2-methoxy-2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 104767773

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one (CID 83252000) is 5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one is CCC(C)C1NC(C(C)C)N(C(C2CC2)C2CC2)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one?
The InChIKey is PVTBKWQFLAQPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-11(4)14-17(20)19(16(18-14)10(2)3)15(12-6-7-12)13-8-9-13/h10-16,18H,5-9H2,1-4H3.
What are the key properties of 5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one?
5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one has a molecular weight of 278.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(dicyclopropylmethyl)-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83252000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).