(2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole

C36H36N4O3 — CID 142266224

IUPAC(2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole
SMILESCOc1ccc(CN2C(=O)/C(=C/N)OCC2C)cc1.c1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1
InChIInChI=1S/C22H18N2.C14H18N2O3/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21;1-10-9-19-13(7-15)14(17)16(10)8-11-3-5-12(18-2)6-4-11/h1-18H;3-7,10H,8-9,15H2,1-2H3/b;13-7-
InChIKeyRYWJILKPYLAKCY-LWKUWLFASA-N
MW572.71 g/mol
LogP5.97
Rot. Bonds7

About (2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole

(2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole (PubChem CID 142266224) has the molecular formula C36H36N4O3 and a molecular weight of 572.71 g/mol. Its IUPAC name is (2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole.

Molecular Properties

Compound Name(2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole
PubChem CID142266224
Molecular FormulaC36H36N4O3
Molecular Weight572.71 g/mol
Exact Mass572.28
IUPAC Name(2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole
SMILESCOc1ccc(CN2C(=O)/C(=C/N)OCC2C)cc1.c1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1
InChIInChI=1S/C22H18N2.C14H18N2O3/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21;1-10-9-19-13(7-15)14(17)16(10)8-11-3-5-12(18-2)6-4-11/h1-18H;3-7,10H,8-9,15H2,1-2H3/b;13-7-
InChIKeyRYWJILKPYLAKCY-LWKUWLFASA-N
XLogP5.97
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methoxyphenyl)-diphenylmethyl]imidazole
CID 54116392
(4S,5S)-3-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 129249020
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 96663913
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851251
4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594177
[imidazol-1-yl-bis(4-methoxyphenyl)methyl]-phenylsilane
CID 157269768
(4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-[(4-methoxyphenyl)methyl]-5-phenylpyrrolidine-2,3-dione
CID 108599308
N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 126645975
(3Z)-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methylidene]-1-tritylpiperidin-4-one
CID 23139222
(2R,5R)-2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methyl]-2,5-dimethylmorpholin-3-one
CID 147394084
8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one
CID 23243460
ethyl 3-[(4-methoxyphenyl)methyl]-5-[(E)-(4-oxo-1-tritylpiperidin-3-ylidene)methyl]triazole-4-carboxylate
CID 68764548

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole?
The IUPAC name of (2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole (CID 142266224) is (2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole.
What is the SMILES notation for (2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole?
The canonical SMILES for (2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole is COc1ccc(CN2C(=O)/C(=C/N)OCC2C)cc1.c1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1.
What is the InChIKey of (2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole?
The InChIKey is RYWJILKPYLAKCY-LWKUWLFASA-N. The full InChI is InChI=1S/C22H18N2.C14H18N2O3/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21;1-10-9-19-13(7-15)14(17)16(10)8-11-3-5-12(18-2)6-4-11/h1-18H;3-7,10H,8-9,15H2,1-2H3/b;13-7-.
What are the key properties of (2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole?
(2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole has a molecular weight of 572.71 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(aminomethylidene)-4-[(4-methoxyphenyl)methyl]-5-methylmorpholin-3-one;1-tritylimidazole is sourced from PubChem (CID 142266224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).