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

C16H10ClFN2O2 — CID 751927

IUPAC(5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccc(F)c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H10ClFN2O2/c17-11-4-2-6-13(9-11)20-15(21)14(19-16(20)22)8-10-3-1-5-12(18)7-10/h1-9H,(H,19,22)/b14-8+
InChIKeyRGSGEXAKIWXUGC-RIYZIHGNSA-N
MW316.72 g/mol
LogP3.58
Rot. Bonds2

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

(5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 751927) has the molecular formula C16H10ClFN2O2 and a molecular weight of 316.72 g/mol. Its IUPAC name is (5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID751927
Molecular FormulaC16H10ClFN2O2
Molecular Weight316.72 g/mol
Exact Mass316.04
IUPAC Name(5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccc(F)c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H10ClFN2O2/c17-11-4-2-6-13(9-11)20-15(21)14(19-16(20)22)8-10-3-1-5-12(18)7-10/h1-9H,(H,19,22)/b14-8+
InChIKeyRGSGEXAKIWXUGC-RIYZIHGNSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(5Z)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione
CID 2190076
(5E)-3-(3-chlorophenyl)-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
CID 126094600
3-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 3374568
5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 1309269
(5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
CID 5400771
(5E)-3-(3-chlorophenyl)-5-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126106754
(5E)-3-(3-chlorophenyl)-5-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]imidazolidine-2,4-dione
CID 126108509
(5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 5415849
methyl 4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate
CID 2188784
(5E)-5-[(2-bromophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100863
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100759
(5Z)-5-[(3-chlorophenyl)methylidene]-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 6434612

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione (CID 751927) is (5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2cccc(F)c2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is RGSGEXAKIWXUGC-RIYZIHGNSA-N. The full InChI is InChI=1S/C16H10ClFN2O2/c17-11-4-2-6-13(9-11)20-15(21)14(19-16(20)22)8-10-3-1-5-12(18)7-10/h1-9H,(H,19,22)/b14-8+.
What are the key properties of (5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione?
(5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 316.72 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 751927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).