(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

C16H22N2O2 — CID 7180689

IUPAC(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCC(C)CC[C@@]1(C)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-12(2)9-10-16(3)14(19)18(15(20)17-16)11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,17,20)/t16-/m1/s1
InChIKeyMUIFWIGBWBHRIQ-MRXNPFEDSA-N
MW274.36 g/mol
LogP2.93
Rot. Bonds5

About (5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione (PubChem CID 7180689) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
PubChem CID7180689
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCC(C)CC[C@@]1(C)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-12(2)9-10-16(3)14(19)18(15(20)17-16)11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,17,20)/t16-/m1/s1
InChIKeyMUIFWIGBWBHRIQ-MRXNPFEDSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7180813
N-benzyl-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180750
(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170894
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9011112
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 42964360
3-[2-(2-chlorophenoxy)ethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 42965848
[2-(N-methylanilino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9010927
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 7180691
3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 4810317
N-[4-[2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]benzamide
CID 7487271
(5S)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 94812862
2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 40720826

Frequently Asked Questions

What is the IUPAC name of (5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione (CID 7180689) is (5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione is CC(C)CC[C@@]1(C)NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of (5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The InChIKey is MUIFWIGBWBHRIQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)9-10-16(3)14(19)18(15(20)17-16)11-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,17,20)/t16-/m1/s1.
What are the key properties of (5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione has a molecular weight of 274.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7180689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).