1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione

C26H30N2O3 — CID 70255458

IUPAC1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(N2C(=O)N(CC3=CC=CCC3CC3C=CC=CC3)C(C)(C)C2=O)c1
InChIInChI=1S/C26H30N2O3/c1-26(2)24(29)28(22-14-9-15-23(17-22)31-3)25(30)27(26)18-21-13-8-7-12-20(21)16-19-10-5-4-6-11-19/h4-10,13-15,17,19-20H,11-12,16,18H2,1-3H3
InChIKeyQNVRDWZHLSFQTM-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.27
Rot. Bonds6

About 1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione

1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 70255458) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID70255458
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(N2C(=O)N(CC3=CC=CCC3CC3C=CC=CC3)C(C)(C)C2=O)c1
InChIInChI=1S/C26H30N2O3/c1-26(2)24(29)28(22-14-9-15-23(17-22)31-3)25(30)27(26)18-21-13-8-7-12-20(21)16-19-10-5-4-6-11-19/h4-10,13-15,17,19-20H,11-12,16,18H2,1-3H3
InChIKeyQNVRDWZHLSFQTM-UHFFFAOYSA-N
XLogP5.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione (CID 70255458) is 1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione is COc1cccc(N2C(=O)N(CC3=CC=CCC3CC3C=CC=CC3)C(C)(C)C2=O)c1.
What is the InChIKey of 1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is QNVRDWZHLSFQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-26(2)24(29)28(22-14-9-15-23(17-22)31-3)25(30)27(26)18-21-13-8-7-12-20(21)16-19-10-5-4-6-11-19/h4-10,13-15,17,19-20H,11-12,16,18H2,1-3H3.
What are the key properties of 1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione?
1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 418.54 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(cyclohexa-2,4-dien-1-ylmethyl)cyclohexa-1,3-dien-1-yl]methyl]-3-(3-methoxyphenyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 70255458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).