(5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione

C21H21N3O2 — CID 2177673

IUPAC(5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H21N3O2/c25-20-19(22-21(26)24(20)18-7-3-1-4-8-18)15-16-9-11-17(12-10-16)23-13-5-2-6-14-23/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,22,26)/b19-15+
InChIKeyQCMHOEJBTLXZEC-XDJHFCHBSA-N
MW347.42 g/mol
LogP3.77
Rot. Bonds3

About (5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione

(5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 2177673) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID2177673
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H21N3O2/c25-20-19(22-21(26)24(20)18-7-3-1-4-8-18)15-16-9-11-17(12-10-16)23-13-5-2-6-14-23/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,22,26)/b19-15+
InChIKeyQCMHOEJBTLXZEC-XDJHFCHBSA-N
XLogP3.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-5-[(4-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 2928322
5-[(4-hydroxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 4599781
2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-phenylacetamide
CID 4585152
(5E)-1-(4-chlorophenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2201904
4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid
CID 900674
3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 1004315
5-[(4-butan-2-yloxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 2929418
2-[(4Z)-2,5-dioxo-4-[(4-piperidin-1-ylphenyl)methylidene]imidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 46499448
5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 21212299
(5Z)-3-(4-phenoxyphenyl)-5-[[4-(piperazin-1-ylmethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 71214316
(5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 126175557
2-[4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]acetate
CID 7269294

Frequently Asked Questions

What is the IUPAC name of (5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione (CID 2177673) is (5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of (5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is QCMHOEJBTLXZEC-XDJHFCHBSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20-19(22-21(26)24(20)18-7-3-1-4-8-18)15-16-9-11-17(12-10-16)23-13-5-2-6-14-23/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,22,26)/b19-15+.
What are the key properties of (5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?
(5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 347.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2177673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).