3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one

C17H34N2O — CID 83264410

IUPAC3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)N(C(C)CC(C)CC)C1=O
InChIInChI=1S/C17H34N2O/c1-7-9-15-17(20)19(14(6)11-13(5)8-2)16(18-15)10-12(3)4/h12-16,18H,7-11H2,1-6H3
InChIKeyNVXFCLMJUHGOJC-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.78
Rot. Bonds8

About 3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one

3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one (PubChem CID 83264410) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
PubChem CID83264410
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)N(C(C)CC(C)CC)C1=O
InChIInChI=1S/C17H34N2O/c1-7-9-15-17(20)19(14(6)11-13(5)8-2)16(18-15)10-12(3)4/h12-16,18H,7-11H2,1-6H3
InChIKeyNVXFCLMJUHGOJC-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpropyl)-3-pentan-3-yl-5-propylimidazolidin-4-one
CID 83242841
2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one
CID 83248176
5-butyl-2-(2-methylpropyl)-3-pentan-3-ylimidazolidin-4-one
CID 83243202
5-butyl-2-methyl-3-(4-methylhexan-2-yl)imidazolidin-4-one
CID 83264581
3-pentan-2-yl-2,5-dipropylimidazolidin-4-one
CID 83238815
3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83262701
2-(2-methylpropyl)-3,5-dipropylimidazolidin-4-one
CID 83242530
3-(1-methoxypropan-2-yl)-2,5-dipropylimidazolidin-4-one
CID 83238801
3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83247146
2-ethyl-3-(2-methylpentan-3-yl)-5-propylimidazolidin-4-one
CID 83245076
5-ethyl-3-(3-methylpentan-2-yl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83246049
5-ethyl-2-(2-methylpropyl)-3-(1-methylsulfonylpropan-2-yl)imidazolidin-4-one
CID 83264729

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one?
The IUPAC name of 3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one (CID 83264410) is 3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one is CCCC1NC(CC(C)C)N(C(C)CC(C)CC)C1=O.
What is the InChIKey of 3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one?
The InChIKey is NVXFCLMJUHGOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-7-9-15-17(20)19(14(6)11-13(5)8-2)16(18-15)10-12(3)4/h12-16,18H,7-11H2,1-6H3.
What are the key properties of 3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one?
3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one has a molecular weight of 282.47 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83264410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).