(5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride

C18H17ClN2O3 — CID 44581101

IUPAC(5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride
SMILESCOc1ccc(/C=C2\C(=O)NC(=O)N2Cc2ccccc2)cc1.Cl
InChIInChI=1S/C18H16N2O3.ClH/c1-23-15-9-7-13(8-10-15)11-16-17(21)19-18(22)20(16)12-14-5-3-2-4-6-14;/h2-11H,12H2,1H3,(H,19,21,22);1H/b16-11+;
InChIKeyRCBHLJWUQUHZRQ-YFMOEUEHSA-N
MW344.80 g/mol
LogP3.21
Rot. Bonds4

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

(5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride (PubChem CID 44581101) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is (5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name(5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride
PubChem CID44581101
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name(5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride
SMILESCOc1ccc(/C=C2\C(=O)NC(=O)N2Cc2ccccc2)cc1.Cl
InChIInChI=1S/C18H16N2O3.ClH/c1-23-15-9-7-13(8-10-15)11-16-17(21)19-18(22)20(16)12-14-5-3-2-4-6-14;/h2-11H,12H2,1H3,(H,19,21,22);1H/b16-11+;
InChIKeyRCBHLJWUQUHZRQ-YFMOEUEHSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.21
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
1-benzyl-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 76801340
(5Z)-3-benzyl-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1269046
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
(3Z,5Z)-1-benzyl-3,5-bis[(4-methoxyphenyl)methylidene]piperidin-4-one
CID 6966481
(6E)-1-benzyl-6-benzylidene-3-methoxy-3-phenylpiperazine-2,5-dione
CID 10620878
(3E)-3-[(4-chlorophenyl)methylidene]-2-[(4-methoxyphenyl)methyl]isoindol-1-one
CID 71479587
(5E)-5-benzylidene-1-[(4-methoxyphenyl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 134974532
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 5291604
(5E)-1-benzyl-5-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 6270491
[4-[(1-benzyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] 3,4-dimethoxybenzoate
CID 2935346
(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 5291209

Frequently Asked Questions

What is the IUPAC name of (5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of (5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride (CID 44581101) is (5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for (5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for (5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride is COc1ccc(/C=C2\C(=O)NC(=O)N2Cc2ccccc2)cc1.Cl.
What is the InChIKey of (5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is RCBHLJWUQUHZRQ-YFMOEUEHSA-N. The full InChI is InChI=1S/C18H16N2O3.ClH/c1-23-15-9-7-13(8-10-15)11-16-17(21)19-18(22)20(16)12-14-5-3-2-4-6-14;/h2-11H,12H2,1H3,(H,19,21,22);1H/b16-11+;.
What are the key properties of (5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride?
(5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 344.80 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 44581101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).