[2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone

C27H32N2O5 — CID 12060185

IUPAC[2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone
SMILESCC(C)(C)c1cc(C2N(C(=O)c3ccco3)CCN2C(=O)c2ccco2)cc(C(C)(C)C)c1O
InChIInChI=1S/C27H32N2O5/c1-26(2,3)18-15-17(16-19(22(18)30)27(4,5)6)23-28(24(31)20-9-7-13-33-20)11-12-29(23)25(32)21-10-8-14-34-21/h7-10,13-16,23,30H,11-12H2,1-6H3
InChIKeyUCZYLBQNCFZFLL-UHFFFAOYSA-N
MW464.56 g/mol
LogP5.47
Rot. Bonds3

About [2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone

[2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone (PubChem CID 12060185) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is [2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone
PubChem CID12060185
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name[2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone
SMILESCC(C)(C)c1cc(C2N(C(=O)c3ccco3)CCN2C(=O)c2ccco2)cc(C(C)(C)C)c1O
InChIInChI=1S/C27H32N2O5/c1-26(2,3)18-15-17(16-19(22(18)30)27(4,5)6)23-28(24(31)20-9-7-13-33-20)11-12-29(23)25(32)21-10-8-14-34-21/h7-10,13-16,23,30H,11-12H2,1-6H3
InChIKeyUCZYLBQNCFZFLL-UHFFFAOYSA-N
XLogP5.47
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethylphenoxy)-N,N-bis(2-furylmethyl)acetamide
CID 16014272
N,N-bis(furan-2-ylmethyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 16014273
1-(2,3-Dihydro-1-benzofuran-5-ylmethyl)-4-(2-furoyl)-1,4-diazepan-6-ol
CID 74243546
[(6S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-hydroxy-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 97932679
2-[[Bis(furan-2-ylmethyl)amino]methyl]-4,6-ditert-butylphenol
CID 168302774
5-(3,5-Ditert-butyl-4-hydroxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
CID 4635082
(4E)-5-(3,5-ditert-butyl-4-hydroxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
CID 6171154
2-[1-(Furan-2-YL)-N-[(oxolan-2-YL)methyl]formamido]-N-[(5-methylfuran-2-YL)methyl]-N-(2-phenylethyl)acetamide
CID 3317225
2-[1-(Furan-2-YL)-N-pentylformamido]-N-[(5-methylfuran-2-YL)methyl]-N-(2-phenylethyl)acetamide
CID 4233176
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 5010138
2-(2,4-Dimethylphenoxy)-1-[4-(2-furylcarbonyl)piperazinyl]propan-1-one
CID 17217105
2-Allyl-4-{[4-(2-furoyl)-1,4-diazepan-1-yl]methyl}phenol
CID 56702861

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone (CID 12060185) is [2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone is CC(C)(C)c1cc(C2N(C(=O)c3ccco3)CCN2C(=O)c2ccco2)cc(C(C)(C)C)c1O.
What is the InChIKey of [2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is UCZYLBQNCFZFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5/c1-26(2,3)18-15-17(16-19(22(18)30)27(4,5)6)23-28(24(31)20-9-7-13-33-20)11-12-29(23)25(32)21-10-8-14-34-21/h7-10,13-16,23,30H,11-12H2,1-6H3.
What are the key properties of [2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone?
[2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 464.56 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(furan-2-carbonyl)imidazolidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 12060185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).