3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one

C16H24N2O — CID 83242661

IUPAC3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)CN1C(=O)C(C(C)C)NC1c1ccccc1
InChIInChI=1S/C16H24N2O/c1-11(2)10-18-15(13-8-6-5-7-9-13)17-14(12(3)4)16(18)19/h5-9,11-12,14-15,17H,10H2,1-4H3
InChIKeyDBHOIUPDQNMBIP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.80
Rot. Bonds4

About 3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one

3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one (PubChem CID 83242661) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
PubChem CID83242661
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)CN1C(=O)C(C(C)C)NC1c1ccccc1
InChIInChI=1S/C16H24N2O/c1-11(2)10-18-15(13-8-6-5-7-9-13)17-14(12(3)4)16(18)19/h5-9,11-12,14-15,17H,10H2,1-4H3
InChIKeyDBHOIUPDQNMBIP-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one (CID 83242661) is 3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one is CC(C)CN1C(=O)C(C(C)C)NC1c1ccccc1.
What is the InChIKey of 3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one?
The InChIKey is DBHOIUPDQNMBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)10-18-15(13-8-6-5-7-9-13)17-14(12(3)4)16(18)19/h5-9,11-12,14-15,17H,10H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one?
3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one has a molecular weight of 260.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83242661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).