1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione

C18H16N2O3 — CID 76801340

IUPAC1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cccc(C=C2C(=O)NC(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C18H16N2O3/c1-23-15-9-5-8-14(10-15)11-16-17(21)19-18(22)20(16)12-13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,19,21,22)
InChIKeySMGXWLCCFMSUCS-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.79
Rot. Bonds4

About 1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione

1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 76801340) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID76801340
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cccc(C=C2C(=O)NC(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C18H16N2O3/c1-23-15-9-5-8-14(10-15)11-16-17(21)19-18(22)20(16)12-13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,19,21,22)
InChIKeySMGXWLCCFMSUCS-UHFFFAOYSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.79
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)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 25185443
(5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride
CID 44581101
(5E)-3-benzyl-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5289638
(5Z)-5-[(3-methoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 873247
(5Z)-5-[(3-methoxyphenyl)methylidene]-1-(4-phenylmethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1337883
(5E)-1-benzyl-5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1345490
(5E)-5-[(3-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126145833
(6E)-1-benzyl-6-benzylidene-3-methoxy-3-phenylpiperazine-2,5-dione
CID 10620878
1-benzyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6804288
(5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126213972
5-[(3-phenylmethoxyphenyl)methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 5220602
(5Z)-5-[(3-methoxyphenyl)methylidene]-1,3-oxazolidine-2,4-dione
CID 70294296

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 76801340) is 1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione is COc1cccc(C=C2C(=O)NC(=O)N2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is SMGXWLCCFMSUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-23-15-9-5-8-14(10-15)11-16-17(21)19-18(22)20(16)12-13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,19,21,22).
What are the key properties of 1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 308.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 76801340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).