(5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione

C16H14N2O2S — CID 126211878

IUPAC(5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
SMILESCc1ccsc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H14N2O2S/c1-11-7-8-21-14(11)9-13-15(19)18(16(20)17-13)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,20)/b13-9+
InChIKeyRZDULXLGOHXDTJ-UKTHLTGXSA-N
MW298.37 g/mol
LogP3.15
Rot. Bonds3

About (5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione

(5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 126211878) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is (5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
PubChem CID126211878
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name(5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
SMILESCc1ccsc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H14N2O2S/c1-11-7-8-21-14(11)9-13-15(19)18(16(20)17-13)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,20)/b13-9+
InChIKeyRZDULXLGOHXDTJ-UKTHLTGXSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-[(2-fluorophenyl)methyl]-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 751920
(5E)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 68648545
3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 2927735
(5E)-3-benzyl-5-[(3-bromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126213828
(5E)-3-methyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19287912
(5E)-3-benzyl-5-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 126258499
(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 6376994
(5Z)-3-benzyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 126203245
(5E)-3-cyclopropyl-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19548623
5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 3933086
(5E)-5-[(2-bromophenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126249726
propan-2-yl 2-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)acetate
CID 54486617

Frequently Asked Questions

What is the IUPAC name of (5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione (CID 126211878) is (5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione is Cc1ccsc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of (5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is RZDULXLGOHXDTJ-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-7-8-21-14(11)9-13-15(19)18(16(20)17-13)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,20)/b13-9+.
What are the key properties of (5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione?
(5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 298.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-benzyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126211878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).