1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione

C24H27N3O3 — CID 134559112

IUPAC1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCCC(=O)N2CCCC2C(c2ccccc2)c2ccccc2)C(=O)N1
InChIInChI=1S/C24H27N3O3/c28-21-17-26(24(30)25-21)15-8-14-22(29)27-16-7-13-20(27)23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20,23H,7-8,13-17H2,(H,25,28,30)
InChIKeyJDNZPDIHSOBWJC-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.14
Rot. Bonds7

About 1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione

1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione (PubChem CID 134559112) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione
PubChem CID134559112
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCCC(=O)N2CCCC2C(c2ccccc2)c2ccccc2)C(=O)N1
InChIInChI=1S/C24H27N3O3/c28-21-17-26(24(30)25-21)15-8-14-22(29)27-16-7-13-20(27)23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20,23H,7-8,13-17H2,(H,25,28,30)
InChIKeyJDNZPDIHSOBWJC-UHFFFAOYSA-N
XLogP3.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
CID 153430258
1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124692827
3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
CID 95300829
1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119434457
(2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 73158126
N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide
CID 95592208
[(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese
CID 145485125
2-benzhydryl-1-methylpyrrolidine
CID 71178925
3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
CID 119435379
(4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 97013354
(4R)-1-(2-phenylethyl)-4-[(2R)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 97013355
[(1R)-4-(2-aminoethyl)cyclooctyl]-[(2S)-2-benzhydrylpyrrolidin-1-yl]methanone
CID 142080675

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione (CID 134559112) is 1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione is O=C1CN(CCCC(=O)N2CCCC2C(c2ccccc2)c2ccccc2)C(=O)N1.
What is the InChIKey of 1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione?
The InChIKey is JDNZPDIHSOBWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-21-17-26(24(30)25-21)15-8-14-22(29)27-16-7-13-20(27)23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20,23H,7-8,13-17H2,(H,25,28,30).
What are the key properties of 1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione?
1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione has a molecular weight of 405.50 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione is sourced from PubChem (CID 134559112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).