5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione

C27H33N3O5 — CID 45166286

IUPAC5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(CN2C(=O)NC(C)(C3CCN(Cc4ccc5c(c4)CCO5)CC3)C2=O)c1OC
InChIInChI=1S/C27H33N3O5/c1-27(21-9-12-29(13-10-21)16-18-7-8-22-19(15-18)11-14-35-22)25(31)30(26(32)28-27)17-20-5-4-6-23(33-2)24(20)34-3/h4-8,15,21H,9-14,16-17H2,1-3H3,(H,28,32)
InChIKeyPCCIOLXFUWJADR-UHFFFAOYSA-N
MW479.58 g/mol
LogP3.36
Rot. Bonds7

About 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione

5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 45166286) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID45166286
Molecular FormulaC27H33N3O5
Molecular Weight479.58 g/mol
Exact Mass479.24
IUPAC Name5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(CN2C(=O)NC(C)(C3CCN(Cc4ccc5c(c4)CCO5)CC3)C2=O)c1OC
InChIInChI=1S/C27H33N3O5/c1-27(21-9-12-29(13-10-21)16-18-7-8-22-19(15-18)11-14-35-22)25(31)30(26(32)28-27)17-20-5-4-6-23(33-2)24(20)34-3/h4-8,15,21H,9-14,16-17H2,1-3H3,(H,28,32)
InChIKeyPCCIOLXFUWJADR-UHFFFAOYSA-N
XLogP3.36
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45192585
3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45175375
5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45182819
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 51857399
5-cyclopropyl-3-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 17440358
3-but-2-ynyl-5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45170074
1-[[4-[(2,3-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N,N-diethylpiperidine-3-carboxamide
CID 45182805
1'-[(2,3-dimethoxyphenyl)methyl]-5-propan-2-ylspiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one
CID 110063019
(5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 42331802
6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126467539
3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 74247346
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine
CID 35315223

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione (CID 45166286) is 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione is COc1cccc(CN2C(=O)NC(C)(C3CCN(Cc4ccc5c(c4)CCO5)CC3)C2=O)c1OC.
What is the InChIKey of 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is PCCIOLXFUWJADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5/c1-27(21-9-12-29(13-10-21)16-18-7-8-22-19(15-18)11-14-35-22)25(31)30(26(32)28-27)17-20-5-4-6-23(33-2)24(20)34-3/h4-8,15,21H,9-14,16-17H2,1-3H3,(H,28,32).
What are the key properties of 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 479.58 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 45166286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).