(5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione

C24H26FN3O2 — CID 50858589

IUPAC(5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
SMILESCC1CC(C)(C)N(C)c2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)cc21
InChIInChI=1S/C24H26FN3O2/c1-15-13-24(2,3)27(4)21-10-9-16(11-18(15)21)12-20-22(29)28(23(30)26-20)14-17-7-5-6-8-19(17)25/h5-12,15H,13-14H2,1-4H3,(H,26,30)/b20-12+
InChIKeySDUXGKGQOMJPCW-UDWIEESQSA-N
MW407.49 g/mol
LogP4.64
Rot. Bonds3

About (5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione

(5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 50858589) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is (5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
PubChem CID50858589
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name(5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
SMILESCC1CC(C)(C)N(C)c2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)cc21
InChIInChI=1S/C24H26FN3O2/c1-15-13-24(2,3)27(4)21-10-9-16(11-18(15)21)12-20-22(29)28(23(30)26-20)14-17-7-5-6-8-19(17)25/h5-12,15H,13-14H2,1-4H3,(H,26,30)/b20-12+
InChIKeySDUXGKGQOMJPCW-UDWIEESQSA-N
XLogP4.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
CID 99885860
(5E)-3-[(2-fluorophenyl)methyl]-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50864007
(5Z)-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 132666681
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 132671399
(5E)-1-(2-fluorophenyl)-2-sulfanylidene-5-[[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-1,3-diazinane-4,6-dione
CID 99885399
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 900295
(5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
CID 99885982
(5Z)-5-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 132672406
(5E)-1-(2-ethylphenyl)-2-sulfanylidene-5-[[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-1,3-diazinane-4,6-dione
CID 99885402
5-[[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 99130418
(3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one
CID 58795373
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 900298

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione (CID 50858589) is (5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione is CC1CC(C)(C)N(C)c2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)cc21.
What is the InChIKey of (5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is SDUXGKGQOMJPCW-UDWIEESQSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-15-13-24(2,3)27(4)21-10-9-16(11-18(15)21)12-20-22(29)28(23(30)26-20)14-17-7-5-6-8-19(17)25/h5-12,15H,13-14H2,1-4H3,(H,26,30)/b20-12+.
What are the key properties of (5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
(5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 407.49 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 50858589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).