2-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione

C18H21N3O4 — CID 2999643

IUPAC2-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione
SMILESCC(C)CC1(C)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O
InChIInChI=1S/C18H21N3O4/c1-11(2)10-18(3)16(24)21(17(25)19-18)9-8-20-14(22)12-6-4-5-7-13(12)15(20)23/h4-7,11H,8-10H2,1-3H3,(H,19,25)
InChIKeyHKYXFMVDDOUPKM-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.64
Rot. Bonds5

About 2-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione

2-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione (PubChem CID 2999643) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione
PubChem CID2999643
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione
SMILESCC(C)CC1(C)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O
InChIInChI=1S/C18H21N3O4/c1-11(2)10-18(3)16(24)21(17(25)19-18)9-8-20-14(22)12-6-4-5-7-13(12)15(20)23/h4-7,11H,8-10H2,1-3H3,(H,19,25)
InChIKeyHKYXFMVDDOUPKM-UHFFFAOYSA-N
XLogP1.64
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione (CID 2999643) is 2-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione is CC(C)CC1(C)NC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O.
What is the InChIKey of 2-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione?
The InChIKey is HKYXFMVDDOUPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11(2)10-18(3)16(24)21(17(25)19-18)9-8-20-14(22)12-6-4-5-7-13(12)15(20)23/h4-7,11H,8-10H2,1-3H3,(H,19,25).
What are the key properties of 2-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione?
2-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione has a molecular weight of 343.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 2999643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).