(5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione

C13H20N4O2 — CID 92506044

IUPAC(5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@H]1NC(=O)N(CCCn2ccnc2)C1=O
InChIInChI=1S/C13H20N4O2/c1-10(2)8-11-12(18)17(13(19)15-11)6-3-5-16-7-4-14-9-16/h4,7,9-11H,3,5-6,8H2,1-2H3,(H,15,19)/t11-/m1/s1
InChIKeyJYEBAOFOKIQBJQ-LLVKDONJSA-N
MW264.33 g/mol
LogP1.24
Rot. Bonds6

About (5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione

(5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 92506044) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID92506044
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@H]1NC(=O)N(CCCn2ccnc2)C1=O
InChIInChI=1S/C13H20N4O2/c1-10(2)8-11-12(18)17(13(19)15-11)6-3-5-16-7-4-14-9-16/h4,7,9-11H,3,5-6,8H2,1-2H3,(H,15,19)/t11-/m1/s1
InChIKeyJYEBAOFOKIQBJQ-LLVKDONJSA-N
XLogP1.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione with MolForge

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Related Compounds

1-(3-imidazol-1-ylpropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64872707
1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64881186
1-(3-imidazol-1-ylpropyl)-3-propylpiperazine-2,5-dione
CID 64878857
1-(7-methyloctyl)imidazole
CID 59001100
(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 52544059
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
(5S)-3-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2604902
1-(3-imidazol-1-ylpropyl)piperazine-2,5-dione
CID 64874044
N-(3-imidazol-1-ylpropyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811383
8-(3-imidazol-1-ylpropyl)-8-azaspiro[4.5]decane-7,9-dione
CID 5156407
N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541242

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 92506044) is (5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)C[C@H]1NC(=O)N(CCCn2ccnc2)C1=O.
What is the InChIKey of (5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is JYEBAOFOKIQBJQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(2)8-11-12(18)17(13(19)15-11)6-3-5-16-7-4-14-9-16/h4,7,9-11H,3,5-6,8H2,1-2H3,(H,15,19)/t11-/m1/s1.
What are the key properties of (5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione?
(5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 264.33 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 92506044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).