(5E)-3-benzyl-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione

C23H18ClFN4O4 — CID 126205062

IUPAC(5E)-3-benzyl-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1nc(Cl)ncc1F
InChIInChI=1S/C23H18ClFN4O4/c1-2-32-19-11-15(8-9-18(19)33-20-16(25)12-26-22(24)28-20)10-17-21(30)29(23(31)27-17)13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,27,31)/b17-10+
InChIKeyFVNFZXBFRWIACN-LICLKQGHSA-N
MW468.87 g/mol
LogP4.55
Rot. Bonds7

About (5E)-3-benzyl-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione

(5E)-3-benzyl-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126205062) has the molecular formula C23H18ClFN4O4 and a molecular weight of 468.87 g/mol. Its IUPAC name is (5E)-3-benzyl-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-benzyl-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126205062
Molecular FormulaC23H18ClFN4O4
Molecular Weight468.87 g/mol
Exact Mass468.10
IUPAC Name(5E)-3-benzyl-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1nc(Cl)ncc1F
InChIInChI=1S/C23H18ClFN4O4/c1-2-32-19-11-15(8-9-18(19)33-20-16(25)12-26-22(24)28-20)10-17-21(30)29(23(31)27-17)13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,27,31)/b17-10+
InChIKeyFVNFZXBFRWIACN-LICLKQGHSA-N
XLogP4.55
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.87
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-3-benzyl-5-[(3-ethoxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126199339
(5E)-3-benzyl-5-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126212321
3-benzyl-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 3879997
(5Z)-3-benzyl-5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126361054
(5E)-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126175449
(5E)-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]-3-[(2,6-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126282597
(5E)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 1021341
(5E)-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126276714
(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126239826
(5Z)-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]-3-(4-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126276937
(5E)-3-benzyl-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126212656
(5E)-3-benzyl-5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6006049

Frequently Asked Questions

What is the IUPAC name of (5E)-3-benzyl-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-benzyl-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione (CID 126205062) is (5E)-3-benzyl-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-benzyl-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-benzyl-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione is CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1nc(Cl)ncc1F.
What is the InChIKey of (5E)-3-benzyl-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is FVNFZXBFRWIACN-LICLKQGHSA-N. The full InChI is InChI=1S/C23H18ClFN4O4/c1-2-32-19-11-15(8-9-18(19)33-20-16(25)12-26-22(24)28-20)10-17-21(30)29(23(31)27-17)13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,27,31)/b17-10+.
What are the key properties of (5E)-3-benzyl-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione?
(5E)-3-benzyl-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 468.87 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-benzyl-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126205062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).