1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione

C28H27N3O3 — CID 55733051

IUPAC1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C(c1ccc(CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1)N1CCCC1
InChIInChI=1S/C28H27N3O3/c32-26(29-17-7-8-18-29)24-15-13-22(14-16-24)20-31-27(33)25(23-11-5-2-6-12-23)30(28(31)34)19-21-9-3-1-4-10-21/h1-6,9-16,25H,7-8,17-20H2
InChIKeyXTLUUJHWZFQAJP-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.63
Rot. Bonds6

About 1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione

1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 55733051) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID55733051
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC Name1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C(c1ccc(CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1)N1CCCC1
InChIInChI=1S/C28H27N3O3/c32-26(29-17-7-8-18-29)24-15-13-22(14-16-24)20-31-27(33)25(23-11-5-2-6-12-23)30(28(31)34)19-21-9-3-1-4-10-21/h1-6,9-16,25H,7-8,17-20H2
InChIKeyXTLUUJHWZFQAJP-UHFFFAOYSA-N
XLogP4.63
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]-N-phenylbenzamide
CID 55622382
1-benzyl-3-(2-cyclohexyl-2-oxoethyl)-5-phenylimidazolidine-2,4-dione
CID 55733318
1-benzyl-3-chloro-4-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyrrole-2,5-dione
CID 1408092
1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 24540069
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 1354348
2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55622157
1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
CID 75550310
1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
CID 75550277
2-[[4-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]methyl]isoindole-1,3-dione
CID 32912923
7-benzoyl-2-benzyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 78524207
1-[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]piperidine-4-carboxamide
CID 23939297
tert-butyl 4-[2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperazine-1-carboxylate
CID 56505140

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione (CID 55733051) is 1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione is O=C(c1ccc(CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1)N1CCCC1.
What is the InChIKey of 1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is XTLUUJHWZFQAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3/c32-26(29-17-7-8-18-29)24-15-13-22(14-16-24)20-31-27(33)25(23-11-5-2-6-12-23)30(28(31)34)19-21-9-3-1-4-10-21/h1-6,9-16,25H,7-8,17-20H2.
What are the key properties of 1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione?
1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 453.54 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-phenyl-3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55733051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).