(5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione

C22H18ClN3O3 — CID 50855636

IUPAC(5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(-n2ccc(/C=C3/NC(=O)N(Cc4ccccc4Cl)C3=O)c2)cc1
InChIInChI=1S/C22H18ClN3O3/c1-29-18-8-6-17(7-9-18)25-11-10-15(13-25)12-20-21(27)26(22(28)24-20)14-16-4-2-3-5-19(16)23/h2-13H,14H2,1H3,(H,24,28)/b20-12+
InChIKeyWUPJVIGCIKJKTP-UDWIEESQSA-N
MW407.86 g/mol
LogP4.23
Rot. Bonds5

About (5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione

(5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 50855636) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is (5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione
PubChem CID50855636
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC Name(5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(-n2ccc(/C=C3/NC(=O)N(Cc4ccccc4Cl)C3=O)c2)cc1
InChIInChI=1S/C22H18ClN3O3/c1-29-18-8-6-17(7-9-18)25-11-10-15(13-25)12-20-21(27)26(22(28)24-20)14-16-4-2-3-5-19(16)23/h2-13H,14H2,1H3,(H,24,28)/b20-12+
InChIKeyWUPJVIGCIKJKTP-UDWIEESQSA-N
XLogP4.23
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-3-[(2-fluorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 50855649
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
(5Z)-3-[(2-chlorophenyl)methyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 26502353
2-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]indene-1,3-dione
CID 50855335
5-[[4-[[1-[(2-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid
CID 3589666
(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126255528
(5Z)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(2-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 24510409
(5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 1005281
(5E)-3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6006049
3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4084865
5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 50855289
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
CID 92955324

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione (CID 50855636) is (5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione is COc1ccc(-n2ccc(/C=C3/NC(=O)N(Cc4ccccc4Cl)C3=O)c2)cc1.
What is the InChIKey of (5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is WUPJVIGCIKJKTP-UDWIEESQSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-29-18-8-6-17(7-9-18)25-11-10-15(13-25)12-20-21(27)26(22(28)24-20)14-16-4-2-3-5-19(16)23/h2-13H,14H2,1H3,(H,24,28)/b20-12+.
What are the key properties of (5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione?
(5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 407.86 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(2-chlorophenyl)methyl]-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 50855636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).