5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C26H29N3O4 — CID 45206590

IUPAC5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCC(C2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C26H29N3O4/c1-16-23(17-7-5-4-6-8-17)20-14-21(32-3)18(13-22(20)33-16)15-29-11-9-19(10-12-29)26(2)24(30)27-25(31)28-26/h4-8,13-14,19H,9-12,15H2,1-3H3,(H2,27,28,30,31)
InChIKeyVCJHVCCKRGCULF-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.23
Rot. Bonds5

About 5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 45206590) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID45206590
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCC(C2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C26H29N3O4/c1-16-23(17-7-5-4-6-8-17)20-14-21(32-3)18(13-22(20)33-16)15-29-11-9-19(10-12-29)26(2)24(30)27-25(31)28-26/h4-8,13-14,19H,9-12,15H2,1-3H3,(H2,27,28,30,31)
InChIKeyVCJHVCCKRGCULF-UHFFFAOYSA-N
XLogP4.23
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 42367407
(3R,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-3-ol
CID 134714483
5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45187506
2-[(2S)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 51633509
cyclopropylmethyl-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-propylazanium
CID 7463608
(5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 95786035
5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45200395
(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42325367
5-methyl-5-[1-[3-(5-phenylfuran-2-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 91643956
5-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45193668
5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45186410
5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45182819

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 45206590) is 5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is COc1cc2c(-c3ccccc3)c(C)oc2cc1CN1CCC(C2(C)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is VCJHVCCKRGCULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-16-23(17-7-5-4-6-8-17)20-14-21(32-3)18(13-22(20)33-16)15-29-11-9-19(10-12-29)26(2)24(30)27-25(31)28-26/h4-8,13-14,19H,9-12,15H2,1-3H3,(H2,27,28,30,31).
What are the key properties of 5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 447.54 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 45206590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).