N-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide

C21H21N3O3 — CID 53244260

IUPACN-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide
SMILESCC(=O)NC(Cc1ccccc1)C1=N/C(=C\c2ccc(O)cc2)C(=O)N1C
InChIInChI=1S/C21H21N3O3/c1-14(25)22-18(12-15-6-4-3-5-7-15)20-23-19(21(27)24(20)2)13-16-8-10-17(26)11-9-16/h3-11,13,18,26H,12H2,1-2H3,(H,22,25)/b19-13-
InChIKeyXYBLSOXYNWXEBL-UYRXBGFRSA-N
MW363.42 g/mol
LogP2.35
Rot. Bonds5

About N-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide

N-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide (PubChem CID 53244260) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide
PubChem CID53244260
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide
SMILESCC(=O)NC(Cc1ccccc1)C1=N/C(=C\c2ccc(O)cc2)C(=O)N1C
InChIInChI=1S/C21H21N3O3/c1-14(25)22-18(12-15-6-4-3-5-7-15)20-23-19(21(27)24(20)2)13-16-8-10-17(26)11-9-16/h3-11,13,18,26H,12H2,1-2H3,(H,22,25)/b19-13-
InChIKeyXYBLSOXYNWXEBL-UYRXBGFRSA-N
XLogP2.35
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-Hydroxy-phenyl)-ethylamino]-1-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 11725575
(E)-N-[2-[(3S,6R)-3-benzyl-6-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]ethyl]-2-methylbut-2-enamide
CID 16195682
(E)-N-[2-[(3S,6R)-3,6-bis[(4-hydroxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]ethyl]-2-methylbut-2-enamide
CID 16195705
Chromophore (Met-Tyr-Gly)
CID 49866789
Chromophore (lys-tyr-gly)
CID 49866823
Chromophore (Gly-Tyr-Gly)
CID 49866829
[(4Z)-2-(1-Amino-2-hydroxyethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-YL]acetic acid
CID 49867069
(5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-3-methyl-2-[(E)-2-phenylethenyl]imidazol-4-one
CID 168141019
(5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylimidazol-4-one
CID 168141035
(E)-N-[2-[(3R,6R)-3-benzyl-6-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]ethyl]-2-methylbut-2-enamide
CID 16195625
(E)-N-[2-[(3R,6R)-6-[(4-hydroxyphenyl)methyl]-3-methyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-yl]ethyl]-2-methylbut-2-enamide
CID 16195661
N-[(2S)-1-[(5S)-2-amino-5-(2-methylpropyl)-4,5-dihydroimidazol-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]acetamide
CID 24856304

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide?
The IUPAC name of N-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide (CID 53244260) is N-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide.
What is the SMILES notation for N-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide?
The canonical SMILES for N-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide is CC(=O)NC(Cc1ccccc1)C1=N/C(=C\c2ccc(O)cc2)C(=O)N1C.
What is the InChIKey of N-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide?
The InChIKey is XYBLSOXYNWXEBL-UYRXBGFRSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14(25)22-18(12-15-6-4-3-5-7-15)20-23-19(21(27)24(20)2)13-16-8-10-17(26)11-9-16/h3-11,13,18,26H,12H2,1-2H3,(H,22,25)/b19-13-.
What are the key properties of N-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide?
N-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide is sourced from PubChem (CID 53244260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).