3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one

C17H34N2O — CID 83254863

IUPAC3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CCCN1C(=O)C(CC(C)C)NC1CC(C)C
InChIInChI=1S/C17H34N2O/c1-12(2)8-7-9-19-16(11-14(5)6)18-15(17(19)20)10-13(3)4/h12-16,18H,7-11H2,1-6H3
InChIKeyHUHFZDSNCJHVON-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.64
Rot. Bonds8

About 3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one

3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one (PubChem CID 83254863) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
PubChem CID83254863
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
SMILESCC(C)CCCN1C(=O)C(CC(C)C)NC1CC(C)C
InChIInChI=1S/C17H34N2O/c1-12(2)8-7-9-19-16(11-14(5)6)18-15(17(19)20)10-13(3)4/h12-16,18H,7-11H2,1-6H3
InChIKeyHUHFZDSNCJHVON-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one (CID 83254863) is 3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one is CC(C)CCCN1C(=O)C(CC(C)C)NC1CC(C)C.
What is the InChIKey of 3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one?
The InChIKey is HUHFZDSNCJHVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-12(2)8-7-9-19-16(11-14(5)6)18-15(17(19)20)10-13(3)4/h12-16,18H,7-11H2,1-6H3.
What are the key properties of 3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one?
3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one has a molecular weight of 282.47 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83254863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).