1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione

C18H23N3O4 — CID 153430258

IUPAC1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCCC(=O)N2CCCC2[C@H](O)c2ccccc2)C(=O)N1
InChIInChI=1S/C18H23N3O4/c22-15-12-20(18(25)19-15)10-5-9-16(23)21-11-4-8-14(21)17(24)13-6-2-1-3-7-13/h1-3,6-7,14,17,24H,4-5,8-12H2,(H,19,22,25)/t14?,17-/m1/s1
InChIKeyKLHNZZRNYLJQBB-FBMWCMRBSA-N
MW345.40 g/mol
LogP1.04
Rot. Bonds6

About 1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione

1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione (PubChem CID 153430258) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
PubChem CID153430258
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCCC(=O)N2CCCC2[C@H](O)c2ccccc2)C(=O)N1
InChIInChI=1S/C18H23N3O4/c22-15-12-20(18(25)19-15)10-5-9-16(23)21-11-4-8-14(21)17(24)13-6-2-1-3-7-13/h1-3,6-7,14,17,24H,4-5,8-12H2,(H,19,22,25)/t14?,17-/m1/s1
InChIKeyKLHNZZRNYLJQBB-FBMWCMRBSA-N
XLogP1.04
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-benzhydrylpyrrolidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione
CID 134559112
[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 126820795
1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124692827
tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
CID 21106393
3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
CID 95300829
N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide
CID 95592208
1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid
CID 119176060
[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
CID 67164631
phenyl-(1-phenylpyrrolidin-2-yl)methanol
CID 164523197
N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide
CID 95592185
(3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one
CID 166440267
1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119434457

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione (CID 153430258) is 1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione is O=C1CN(CCCC(=O)N2CCCC2[C@H](O)c2ccccc2)C(=O)N1.
What is the InChIKey of 1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione?
The InChIKey is KLHNZZRNYLJQBB-FBMWCMRBSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-15-12-20(18(25)19-15)10-5-9-16(23)21-11-4-8-14(21)17(24)13-6-2-1-3-7-13/h1-3,6-7,14,17,24H,4-5,8-12H2,(H,19,22,25)/t14?,17-/m1/s1.
What are the key properties of 1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione?
1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(R)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione is sourced from PubChem (CID 153430258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).