(5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione

C22H25N3O4 — CID 57411183

IUPAC(5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(c2ccc(Oc3cccc4c3CC(C)(C)OC4)nc2)C1=O
InChIInChI=1S/C22H25N3O4/c1-5-22(4)19(26)25(20(27)24-22)15-9-10-18(23-12-15)29-17-8-6-7-14-13-28-21(2,3)11-16(14)17/h6-10,12H,5,11,13H2,1-4H3,(H,24,27)/t22-/m1/s1
InChIKeyJXNSTUBOQNDSKJ-JOCHJYFZSA-N
MW395.46 g/mol
LogP3.95
Rot. Bonds4

About (5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione

(5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 57411183) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is (5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID57411183
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name(5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(c2ccc(Oc3cccc4c3CC(C)(C)OC4)nc2)C1=O
InChIInChI=1S/C22H25N3O4/c1-5-22(4)19(26)25(20(27)24-22)15-9-10-18(23-12-15)29-17-8-6-7-14-13-28-21(2,3)11-16(14)17/h6-10,12H,5,11,13H2,1-4H3,(H,24,27)/t22-/m1/s1
InChIKeyJXNSTUBOQNDSKJ-JOCHJYFZSA-N
XLogP3.95
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione (CID 57411183) is (5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione is CC[C@@]1(C)NC(=O)N(c2ccc(Oc3cccc4c3CC(C)(C)OC4)nc2)C1=O.
What is the InChIKey of (5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is JXNSTUBOQNDSKJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-5-22(4)19(26)25(20(27)24-22)15-9-10-18(23-12-15)29-17-8-6-7-14-13-28-21(2,3)11-16(14)17/h6-10,12H,5,11,13H2,1-4H3,(H,24,27)/t22-/m1/s1.
What are the key properties of (5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione?
(5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 395.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[6-[(3,3-dimethyl-1,4-dihydroisochromen-5-yl)oxy]-3-pyridinyl]-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 57411183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).