(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione

C23H24N2O5 — CID 7483818

IUPAC(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione
SMILESCCCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1
InChIInChI=1S/C23H24N2O5/c1-3-4-15-5-7-16(8-6-15)18(26)14-25-21(27)23(2,24-22(25)28)17-9-10-19-20(13-17)30-12-11-29-19/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,28)/t23-/m1/s1
InChIKeyUIDPRFJZYIYJPO-HSZRJFAPSA-N
MW408.45 g/mol
LogP3.06
Rot. Bonds6

About (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione

(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione (PubChem CID 7483818) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione
PubChem CID7483818
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione
SMILESCCCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1
InChIInChI=1S/C23H24N2O5/c1-3-4-15-5-7-16(8-6-15)18(26)14-25-21(27)23(2,24-22(25)28)17-9-10-19-20(13-17)30-12-11-29-19/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,28)/t23-/m1/s1
InChIKeyUIDPRFJZYIYJPO-HSZRJFAPSA-N
XLogP3.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7962117
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7359170
3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815454
(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41058914
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 17452081
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione
CID 7962031
N-butyl-2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7962151
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 43029188
(5S)-5-(1,3-benzodioxol-5-yl)-3-[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7691904
N-[2-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4795594
butyl 2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7483962
butyl 2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7483959

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione (CID 7483818) is (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione is CCCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1.
What is the InChIKey of (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is UIDPRFJZYIYJPO-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-3-4-15-5-7-16(8-6-15)18(26)14-25-21(27)23(2,24-22(25)28)17-9-10-19-20(13-17)30-12-11-29-19/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,28)/t23-/m1/s1.
What are the key properties of (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione?
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 408.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7483818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).