(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C24H22N4O5 — CID 41023966

IUPAC(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccn1
InChIInChI=1S/C24H22N4O5/c1-14-10-17(15(2)28(14)21-6-4-5-9-25-21)18(29)12-27-22(30)24(3,26-23(27)31)16-7-8-19-20(11-16)33-13-32-19/h4-11H,12-13H2,1-3H3,(H,26,31)/t24-/m1/s1
InChIKeyLWTXHJJTTFFCRH-XMMPIXPASA-N
MW446.46 g/mol
LogP2.87
Rot. Bonds5

About (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 41023966) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID41023966
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccn1
InChIInChI=1S/C24H22N4O5/c1-14-10-17(15(2)28(14)21-6-4-5-9-25-21)18(29)12-27-22(30)24(3,26-23(27)31)16-7-8-19-20(11-16)33-13-32-19/h4-11H,12-13H2,1-3H3,(H,26,31)/t24-/m1/s1
InChIKeyLWTXHJJTTFFCRH-XMMPIXPASA-N
XLogP2.87
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 41136655
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7359236
(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41236591
(5S)-3-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 41199001
(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 30304962
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 17452081
(5R)-3-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 41141338
(5S)-3-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41249675
(5S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7484126
2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 17441791
(5S)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41013577
(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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 41023966) is (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccccn1.
What is the InChIKey of (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is LWTXHJJTTFFCRH-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22N4O5/c1-14-10-17(15(2)28(14)21-6-4-5-9-25-21)18(29)12-27-22(30)24(3,26-23(27)31)16-7-8-19-20(11-16)33-13-32-19/h4-11H,12-13H2,1-3H3,(H,26,31)/t24-/m1/s1.
What are the key properties of (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 446.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1,3-benzodioxol-5-yl)-3-[2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 41023966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).