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

C20H13ClFN3O2 — CID 126249348

IUPAC(5E)-3-(4-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccn2-c2ccccc2F)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClFN3O2/c21-13-7-9-14(10-8-13)25-19(26)17(23-20(25)27)12-15-4-3-11-24(15)18-6-2-1-5-16(18)22/h1-12H,(H,23,27)/b17-12+
InChIKeyZJZNDADYZRTBIL-SFQUDFHCSA-N
MW381.79 g/mol
LogP4.37
Rot. Bonds3

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

(5E)-3-(4-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 126249348) has the molecular formula C20H13ClFN3O2 and a molecular weight of 381.79 g/mol. Its IUPAC name is (5E)-3-(4-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(4-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
PubChem CID126249348
Molecular FormulaC20H13ClFN3O2
Molecular Weight381.79 g/mol
Exact Mass381.07
IUPAC Name(5E)-3-(4-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccn2-c2ccccc2F)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClFN3O2/c21-13-7-9-14(10-8-13)25-19(26)17(23-20(25)27)12-15-4-3-11-24(15)18-6-2-1-5-16(18)22/h1-12H,(H,23,27)/b17-12+
InChIKeyZJZNDADYZRTBIL-SFQUDFHCSA-N
XLogP4.37
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 54.37
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

3-(4-chlorophenyl)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
CID 3937131
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)-3-(4-chlorophenyl)-5-[(2-chlorophenyl)methylidene]imidazolidine-2,4-dione
CID 6433059
(5E)-1-(2-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126231374
(5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126136164
(5E)-1-(3-chloro-4-methylphenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126226996
(5E)-3-(3-chlorophenyl)-5-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126074062
(5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126179138
(5Z)-5-[[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 1340644
(5E)-5-[[1-(2,3-dimethylphenyl)pyrrol-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126120409
5-(4-fluorophenyl)-3-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]furan-2-one
CID 5039736

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(4-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-(4-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione (CID 126249348) is (5E)-3-(4-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(4-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(4-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2cccn2-c2ccccc2F)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (5E)-3-(4-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is ZJZNDADYZRTBIL-SFQUDFHCSA-N. The full InChI is InChI=1S/C20H13ClFN3O2/c21-13-7-9-14(10-8-13)25-19(26)17(23-20(25)27)12-15-4-3-11-24(15)18-6-2-1-5-16(18)22/h1-12H,(H,23,27)/b17-12+.
What are the key properties of (5E)-3-(4-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione?
(5E)-3-(4-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 381.79 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(4-chlorophenyl)-5-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126249348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).