1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione

C18H21N3O3 — CID 95221192

IUPAC1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESCCCC[C@H]1C=CCN1C(=O)c1ccc(N2CC(=O)NC2=O)cc1
InChIInChI=1S/C18H21N3O3/c1-2-3-5-14-6-4-11-20(14)17(23)13-7-9-15(10-8-13)21-12-16(22)19-18(21)24/h4,6-10,14H,2-3,5,11-12H2,1H3,(H,19,22,24)/t14-/m0/s1
InChIKeyHRKLXFYRTAYCNV-AWEZNQCLSA-N
MW327.38 g/mol
LogP2.31
Rot. Bonds5

About 1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione

1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione (PubChem CID 95221192) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione
PubChem CID95221192
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESCCCC[C@H]1C=CCN1C(=O)c1ccc(N2CC(=O)NC2=O)cc1
InChIInChI=1S/C18H21N3O3/c1-2-3-5-14-6-4-11-20(14)17(23)13-7-9-15(10-8-13)21-12-16(22)19-18(21)24/h4,6-10,14H,2-3,5,11-12H2,1H3,(H,19,22,24)/t14-/m0/s1
InChIKeyHRKLXFYRTAYCNV-AWEZNQCLSA-N
XLogP2.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione (CID 95221192) is 1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione is CCCC[C@H]1C=CCN1C(=O)c1ccc(N2CC(=O)NC2=O)cc1.
What is the InChIKey of 1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is HRKLXFYRTAYCNV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-3-5-14-6-4-11-20(14)17(23)13-7-9-15(10-8-13)21-12-16(22)19-18(21)24/h4,6-10,14H,2-3,5,11-12H2,1H3,(H,19,22,24)/t14-/m0/s1.
What are the key properties of 1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione?
1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 327.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95221192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).