(5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione

C25H29N3O2 — CID 99885982

IUPAC(5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
SMILESCc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C
InChIInChI=1S/C25H29N3O2/c1-16-11-22-20(17(2)14-25(3,4)27(22)5)12-19(16)13-21-23(29)28(24(30)26-21)15-18-9-7-6-8-10-18/h6-13,17H,14-15H2,1-5H3,(H,26,30)/b21-13-/t17-/m1/s1
InChIKeyNUSNMRQOSFBWGR-OJSPLJLUSA-N
MW403.53 g/mol
LogP4.81
Rot. Bonds3

About (5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione

(5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 99885982) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
PubChem CID99885982
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name(5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
SMILESCc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C
InChIInChI=1S/C25H29N3O2/c1-16-11-22-20(17(2)14-25(3,4)27(22)5)12-19(16)13-21-23(29)28(24(30)26-21)15-18-9-7-6-8-10-18/h6-13,17H,14-15H2,1-5H3,(H,26,30)/b21-13-/t17-/m1/s1
InChIKeyNUSNMRQOSFBWGR-OJSPLJLUSA-N
XLogP4.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.81
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'}

Analyze (5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5E)-3-benzyl-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50862816
(5Z)-3-benzyl-5-[[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
CID 124649351
(5Z)-3-benzyl-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione
CID 99885860
2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]-N-phenylacetamide
CID 50858651
(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-[(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50863343
(5E)-3-benzyl-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 50858734
N-(4-chlorophenyl)-2-[(4E)-2,5-dioxo-4-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidin-1-yl]acetamide
CID 50858668
(5Z)-3-ethyl-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 132670049
2-[(4E)-4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 50859528
(5E)-1-(2-ethylphenyl)-5-[[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 99886043
(5E)-3-[(2-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50858589

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione (CID 99885982) is (5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione is Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C.
What is the InChIKey of (5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is NUSNMRQOSFBWGR-OJSPLJLUSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-16-11-22-20(17(2)14-25(3,4)27(22)5)12-19(16)13-21-23(29)28(24(30)26-21)15-18-9-7-6-8-10-18/h6-13,17H,14-15H2,1-5H3,(H,26,30)/b21-13-/t17-/m1/s1.
What are the key properties of (5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione?
(5Z)-3-benzyl-5-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 403.53 g/mol, XLogP of 4.81, 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-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 99885982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).