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

C23H25N3O2 — CID 126258499

IUPAC(5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C23H25N3O2/c1-17-14-20(25-12-6-3-7-13-25)11-10-19(17)15-21-22(27)26(23(28)24-21)16-18-8-4-2-5-9-18/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3,(H,24,28)/b21-15+
InChIKeyXGRVWJPHBRESGQ-RCCKNPSSSA-N
MW375.47 g/mol
LogP4.08
Rot. Bonds4

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

(5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 126258499) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID126258499
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C23H25N3O2/c1-17-14-20(25-12-6-3-7-13-25)11-10-19(17)15-21-22(27)26(23(28)24-21)16-18-8-4-2-5-9-18/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3,(H,24,28)/b21-15+
InChIKeyXGRVWJPHBRESGQ-RCCKNPSSSA-N
XLogP4.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.08
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

(5E)-5-[(2-methoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126251414
3-ethyl-5-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 968883
3-(3-chlorophenyl)-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 1004315
(5Z)-3-benzyl-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 6535657
3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 2927735
5-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 3923538
2-[(4Z)-4-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 126247998
5-[[3-(azepan-1-ylmethyl)-2-hydroxyphenyl]methylidene]-3-benzylimidazolidine-2,4-dione;hydrochloride
CID 139705073
(5E)-5-[(2-fluoro-4-piperidin-1-ylphenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 126200336
(5E)-3-[(3-bromophenyl)methyl]-5-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126176705
(5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
CID 99885982
methyl 2-[4-[(2-fluoro-4-piperidin-1-ylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 3292515

Frequently Asked Questions

What is the IUPAC name of (5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione (CID 126258499) is (5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of (5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is XGRVWJPHBRESGQ-RCCKNPSSSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-14-20(25-12-6-3-7-13-25)11-10-19(17)15-21-22(27)26(23(28)24-21)16-18-8-4-2-5-9-18/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3,(H,24,28)/b21-15+.
What are the key properties of (5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?
(5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 375.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126258499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).