1-methyl-3-[[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]methyl]imidazolidine-2,4-dione

C27H31N3O2 — CID 11177885

IUPAC1-methyl-3-[[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]methyl]imidazolidine-2,4-dione
SMILESC=C(c1ccc(CN2C(=O)CN(C)C2=O)cn1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C
InChIInChI=1S/C27H31N3O2/c1-17-12-21-22(27(5,6)11-10-26(21,3)4)13-20(17)18(2)23-9-8-19(14-28-23)15-30-24(31)16-29(7)25(30)32/h8-14H,2,15-16H2,1,3-7H3
InChIKeyLZVKLUOBHWFMPG-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.97
Rot. Bonds4

About 1-methyl-3-[[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]methyl]imidazolidine-2,4-dione

1-methyl-3-[[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]methyl]imidazolidine-2,4-dione (PubChem CID 11177885) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 1-methyl-3-[[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]methyl]imidazolidine-2,4-dione
PubChem CID11177885
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name1-methyl-3-[[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]methyl]imidazolidine-2,4-dione
SMILESC=C(c1ccc(CN2C(=O)CN(C)C2=O)cn1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C
InChIInChI=1S/C27H31N3O2/c1-17-12-21-22(27(5,6)11-10-26(21,3)4)13-20(17)18(2)23-9-8-19(14-28-23)15-30-24(31)16-29(7)25(30)32/h8-14H,2,15-16H2,1,3-7H3
InChIKeyLZVKLUOBHWFMPG-UHFFFAOYSA-N
XLogP4.97
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-[[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]methyl]imidazolidine-2,4-dione (CID 11177885) is 1-methyl-3-[[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]methyl]imidazolidine-2,4-dione is C=C(c1ccc(CN2C(=O)CN(C)C2=O)cn1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C.
What is the InChIKey of 1-methyl-3-[[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]methyl]imidazolidine-2,4-dione?
The InChIKey is LZVKLUOBHWFMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-17-12-21-22(27(5,6)11-10-26(21,3)4)13-20(17)18(2)23-9-8-19(14-28-23)15-30-24(31)16-29(7)25(30)32/h8-14H,2,15-16H2,1,3-7H3.
What are the key properties of 1-methyl-3-[[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]methyl]imidazolidine-2,4-dione?
1-methyl-3-[[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]methyl]imidazolidine-2,4-dione has a molecular weight of 429.56 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[6-[1-(3,5,5,8,8-pentamethylnaphthalen-2-yl)ethenyl]-3-pyridinyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 11177885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).