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

C20H13ClIN3O2 — CID 3937131

IUPAC3-(4-chlorophenyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2cccn2-c2ccc(I)cc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClIN3O2/c21-13-3-7-16(8-4-13)25-19(26)18(23-20(25)27)12-17-2-1-11-24(17)15-9-5-14(22)6-10-15/h1-12H,(H,23,27)
InChIKeyHGWIRIGLIIRZTL-UHFFFAOYSA-N
MW489.70 g/mol
LogP4.83
Rot. Bonds3

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

3-(4-chlorophenyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 3937131) has the molecular formula C20H13ClIN3O2 and a molecular weight of 489.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
PubChem CID3937131
Molecular FormulaC20H13ClIN3O2
Molecular Weight489.70 g/mol
Exact Mass488.97
IUPAC Name3-(4-chlorophenyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2cccn2-c2ccc(I)cc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClIN3O2/c21-13-3-7-16(8-4-13)25-19(26)18(23-20(25)27)12-17-2-1-11-24(17)15-9-5-14(22)6-10-15/h1-12H,(H,23,27)
InChIKeyHGWIRIGLIIRZTL-UHFFFAOYSA-N
XLogP4.83
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.70
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-(4-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
CID 126249348
3-[2-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoate
CID 6104166
(5E)-3-(3-chlorophenyl)-5-[[1-(4-methylphenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
CID 126070692
(5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126136164
(5Z)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 2289453
(5E)-3-(4-chlorophenyl)-5-[(2-chlorophenyl)methylidene]imidazolidine-2,4-dione
CID 6433059
(5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 2281301
(5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 2281760
5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2901129
(5E)-1-phenyl-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6228822
(5E)-1-(3-chloro-2-methylphenyl)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126241993
(5E)-5-[[3-chloro-4-[(4-iodophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126241075

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione (CID 3937131) is 3-(4-chlorophenyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione is O=C1NC(=Cc2cccn2-c2ccc(I)cc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is HGWIRIGLIIRZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClIN3O2/c21-13-3-7-16(8-4-13)25-19(26)18(23-20(25)27)12-17-2-1-11-24(17)15-9-5-14(22)6-10-15/h1-12H,(H,23,27).
What are the key properties of 3-(4-chlorophenyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione?
3-(4-chlorophenyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 489.70 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 3937131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).