5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione

C60H63N9O12 — CID 158408774

IUPAC5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione
SMILESCC1CCOc2cccc(Oc3ccc(N4C(=O)NC(C)(C)C4=O)cn3)c21.CC1CCOc2cccc(Oc3ccc(N4C(=O)NC(C)(C)C4=O)cn3)c21.CC1CCOc2cccc(Oc3ccc(N4C(=O)NC(C)(C)C4=O)cn3)c21
InChIInChI=1S/3C20H21N3O4/c3*1-12-9-10-26-14-5-4-6-15(17(12)14)27-16-8-7-13(11-21-16)23-18(24)20(2,3)22-19(23)25/h3*4-8,11-12H,9-10H2,1-3H3,(H,22,25)
InChIKeyGZAOFCJLGAJKRP-UHFFFAOYSA-N
MW1102.21 g/mol
LogP10.78
Rot. Bonds9

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

5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 158408774) has the molecular formula C60H63N9O12 and a molecular weight of 1102.21 g/mol. Its IUPAC name is 5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione
PubChem CID158408774
Molecular FormulaC60H63N9O12
Molecular Weight1102.21 g/mol
Exact Mass1101.46
IUPAC Name5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione
SMILESCC1CCOc2cccc(Oc3ccc(N4C(=O)NC(C)(C)C4=O)cn3)c21.CC1CCOc2cccc(Oc3ccc(N4C(=O)NC(C)(C)C4=O)cn3)c21.CC1CCOc2cccc(Oc3ccc(N4C(=O)NC(C)(C)C4=O)cn3)c21
InChIInChI=1S/3C20H21N3O4/c3*1-12-9-10-26-14-5-4-6-15(17(12)14)27-16-8-7-13(11-21-16)23-18(24)20(2,3)22-19(23)25/h3*4-8,11-12H,9-10H2,1-3H3,(H,22,25)
InChIKeyGZAOFCJLGAJKRP-UHFFFAOYSA-N
XLogP10.78
TPSA242.28 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001102.21
LogP ≤ 510.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione (CID 158408774) is 5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione is CC1CCOc2cccc(Oc3ccc(N4C(=O)NC(C)(C)C4=O)cn3)c21.CC1CCOc2cccc(Oc3ccc(N4C(=O)NC(C)(C)C4=O)cn3)c21.CC1CCOc2cccc(Oc3ccc(N4C(=O)NC(C)(C)C4=O)cn3)c21.
What is the InChIKey of 5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is GZAOFCJLGAJKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H21N3O4/c3*1-12-9-10-26-14-5-4-6-15(17(12)14)27-16-8-7-13(11-21-16)23-18(24)20(2,3)22-19(23)25/h3*4-8,11-12H,9-10H2,1-3H3,(H,22,25).
What are the key properties of 5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 1102.21 g/mol, XLogP of 10.78, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158408774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).