5-butyl-3-(4-methylpentyl)imidazolidin-4-one

C13H26N2O — CID 83257839

IUPAC5-butyl-3-(4-methylpentyl)imidazolidin-4-one
SMILESCCCCC1NCN(CCCC(C)C)C1=O
InChIInChI=1S/C13H26N2O/c1-4-5-8-12-13(16)15(10-14-12)9-6-7-11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyCHDPBSCWWVTGBP-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.37
Rot. Bonds7

About 5-butyl-3-(4-methylpentyl)imidazolidin-4-one

5-butyl-3-(4-methylpentyl)imidazolidin-4-one (PubChem CID 83257839) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-butyl-3-(4-methylpentyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(4-methylpentyl)imidazolidin-4-one
PubChem CID83257839
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name5-butyl-3-(4-methylpentyl)imidazolidin-4-one
SMILESCCCCC1NCN(CCCC(C)C)C1=O
InChIInChI=1S/C13H26N2O/c1-4-5-8-12-13(16)15(10-14-12)9-6-7-11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyCHDPBSCWWVTGBP-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-3-decylimidazolidin-4-one
CID 83270318
5-butyl-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83247648
5-butyl-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83255355
3-butyl-5-ethylimidazolidin-4-one
CID 83238020
3-(4-methylpentyl)-5-propan-2-ylimidazolidin-4-one
CID 83257837
5-butyl-3-(cyclopropylmethyl)imidazolidin-4-one
CID 83251591
3-(3-methylbutyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83238290
3-[4-[methyl(propan-2-yl)amino]butyl]-5-propylimidazolidin-4-one
CID 83248232
5-butyl-3-(cyclobutylmethyl)imidazolidin-4-one
CID 83244571
3-(3-ethoxypropyl)-5-propylimidazolidin-4-one
CID 83237865
3-[2-(dimethylamino)ethyl]-5-propylimidazolidin-4-one
CID 83251427
5-butyl-3-octan-4-ylimidazolidin-4-one
CID 106021472

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(4-methylpentyl)imidazolidin-4-one?
The IUPAC name of 5-butyl-3-(4-methylpentyl)imidazolidin-4-one (CID 83257839) is 5-butyl-3-(4-methylpentyl)imidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(4-methylpentyl)imidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(4-methylpentyl)imidazolidin-4-one is CCCCC1NCN(CCCC(C)C)C1=O.
What is the InChIKey of 5-butyl-3-(4-methylpentyl)imidazolidin-4-one?
The InChIKey is CHDPBSCWWVTGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-8-12-13(16)15(10-14-12)9-6-7-11(2)3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 5-butyl-3-(4-methylpentyl)imidazolidin-4-one?
5-butyl-3-(4-methylpentyl)imidazolidin-4-one has a molecular weight of 226.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(4-methylpentyl)imidazolidin-4-one is sourced from PubChem (CID 83257839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).