(5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione

C24H27N3O2 — CID 99885860

IUPAC(5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
SMILESC[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc21
InChIInChI=1S/C24H27N3O2/c1-16-14-24(2,3)26(4)21-11-10-18(12-19(16)21)13-20-22(28)27(23(29)25-20)15-17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3,(H,25,29)/b20-13-/t16-/m0/s1
InChIKeyNXNGYILHSVKAKD-SMEDBKPVSA-N
MW389.50 g/mol
LogP4.50
Rot. Bonds3

About (5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione

(5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 99885860) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
PubChem CID99885860
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
SMILESC[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc21
InChIInChI=1S/C24H27N3O2/c1-16-14-24(2,3)26(4)21-11-10-18(12-19(16)21)13-20-22(28)27(23(29)25-20)15-17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3,(H,25,29)/b20-13-/t16-/m0/s1
InChIKeyNXNGYILHSVKAKD-SMEDBKPVSA-N
XLogP4.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.50
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

(5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50858589
(5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
CID 99885982
(5Z)-3-benzyl-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 132662838
(5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 99885879
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 132671399
(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)-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)-3-benzyl-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50862816
(5E)-3-benzyl-5-[(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50863343
(5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
CID 124649351
(5E)-3-[(3-methylphenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50858631
(3Z)-1-ethyl-3-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]indol-2-one
CID 58795373

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione (CID 99885860) is (5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione is C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc21.
What is the InChIKey of (5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is NXNGYILHSVKAKD-SMEDBKPVSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16-14-24(2,3)26(4)21-11-10-18(12-19(16)21)13-20-22(28)27(23(29)25-20)15-17-8-6-5-7-9-17/h5-13,16H,14-15H2,1-4H3,(H,25,29)/b20-13-/t16-/m0/s1.
What are the key properties of (5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione?
(5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 389.50 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 99885860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).