5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one

C12H22N2O — CID 83250992

IUPAC5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one
SMILESCCCCC1NC(C)N(CC2CC2)C1=O
InChIInChI=1S/C12H22N2O/c1-3-4-5-11-12(15)14(9(2)13-11)8-10-6-7-10/h9-11,13H,3-8H2,1-2H3
InChIKeyXPIWBMZUUORDLL-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.73
Rot. Bonds5

About 5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one

5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one (PubChem CID 83250992) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one
PubChem CID83250992
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one
SMILESCCCCC1NC(C)N(CC2CC2)C1=O
InChIInChI=1S/C12H22N2O/c1-3-4-5-11-12(15)14(9(2)13-11)8-10-6-7-10/h9-11,13H,3-8H2,1-2H3
InChIKeyXPIWBMZUUORDLL-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-2-methyl-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254553
5-butyl-3-[3-(dimethylamino)propyl]-2-methylimidazolidin-4-one
CID 83251042
2-methyl-3-[(3-methylcyclohexyl)methyl]-5-propylimidazolidin-4-one
CID 114129936
5-butyl-3-(cyclobutylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83244060
5-butyl-3-(cyclopropylmethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83247509
5-ethyl-2-methyl-3-(oxan-4-ylmethyl)imidazolidin-4-one
CID 83257443
3-[(4-ethylcyclohexyl)methyl]-2,5-dimethylimidazolidin-4-one
CID 83251966
5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one
CID 83259831
5-butyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83249315
5-butyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83254350
5-butyl-2-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257798
5-butyl-3-(cyclopropylmethyl)imidazolidin-4-one
CID 83251591

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one (CID 83250992) is 5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one is CCCCC1NC(C)N(CC2CC2)C1=O.
What is the InChIKey of 5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one?
The InChIKey is XPIWBMZUUORDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-5-11-12(15)14(9(2)13-11)8-10-6-7-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one?
5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one has a molecular weight of 210.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(cyclopropylmethyl)-2-methylimidazolidin-4-one is sourced from PubChem (CID 83250992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).