(5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione

C20H20IN3O4 — CID 67966851

IUPAC(5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione
SMILESCC1COc2cccc(Oc3ccc(N4C(=O)N[C@](C)(I)C4=O)cn3)c2C1C
InChIInChI=1S/C20H20IN3O4/c1-11-10-27-14-5-4-6-15(17(14)12(11)2)28-16-8-7-13(9-22-16)24-18(25)20(3,21)23-19(24)26/h4-9,11-12H,10H2,1-3H3,(H,23,26)/t11?,12?,20-/m0/s1
InChIKeyFPHIAZRBWFMIOB-IGFCCVMLSA-N
MW493.30 g/mol
LogP4.21
Rot. Bonds3

About (5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione

(5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione (PubChem CID 67966851) has the molecular formula C20H20IN3O4 and a molecular weight of 493.30 g/mol. Its IUPAC name is (5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione
PubChem CID67966851
Molecular FormulaC20H20IN3O4
Molecular Weight493.30 g/mol
Exact Mass493.05
IUPAC Name(5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione
SMILESCC1COc2cccc(Oc3ccc(N4C(=O)N[C@](C)(I)C4=O)cn3)c2C1C
InChIInChI=1S/C20H20IN3O4/c1-11-10-27-14-5-4-6-15(17(14)12(11)2)28-16-8-7-13(9-22-16)24-18(25)20(3,21)23-19(24)26/h4-9,11-12H,10H2,1-3H3,(H,23,26)/t11?,12?,20-/m0/s1
InChIKeyFPHIAZRBWFMIOB-IGFCCVMLSA-N
XLogP4.21
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.30
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione (CID 67966851) is (5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione is CC1COc2cccc(Oc3ccc(N4C(=O)N[C@](C)(I)C4=O)cn3)c2C1C.
What is the InChIKey of (5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione?
The InChIKey is FPHIAZRBWFMIOB-IGFCCVMLSA-N. The full InChI is InChI=1S/C20H20IN3O4/c1-11-10-27-14-5-4-6-15(17(14)12(11)2)28-16-8-7-13(9-22-16)24-18(25)20(3,21)23-19(24)26/h4-9,11-12H,10H2,1-3H3,(H,23,26)/t11?,12?,20-/m0/s1.
What are the key properties of (5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione?
(5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione has a molecular weight of 493.30 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[6-[(3,4-dimethyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]-5-iodo-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 67966851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).