(5Z)-5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione

C23H23N5O4 — CID 135434086

IUPAC(5Z)-5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
SMILESCOc1ccc(Cc2cn(Cc3ccc(OC)cc3)c(/N=C3\NC(=O)N(C)C3=O)n2)cc1
InChIInChI=1S/C23H23N5O4/c1-27-21(29)20(26-23(27)30)25-22-24-17(12-15-4-8-18(31-2)9-5-15)14-28(22)13-16-6-10-19(32-3)11-7-16/h4-11,14H,12-13H2,1-3H3,(H,24,25,26,30)
InChIKeyUSFHMQUNULPGAQ-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.75
Rot. Bonds7

About (5Z)-5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione

(5Z)-5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (PubChem CID 135434086) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is (5Z)-5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
PubChem CID135434086
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name(5Z)-5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
SMILESCOc1ccc(Cc2cn(Cc3ccc(OC)cc3)c(/N=C3\NC(=O)N(C)C3=O)n2)cc1
InChIInChI=1S/C23H23N5O4/c1-27-21(29)20(26-23(27)30)25-22-24-17(12-15-4-8-18(31-2)9-5-15)14-28(22)13-16-6-10-19(32-3)11-7-16/h4-11,14H,12-13H2,1-3H3,(H,24,25,26,30)
InChIKeyUSFHMQUNULPGAQ-UHFFFAOYSA-N
XLogP2.75
TPSA98.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-imidazole
CID 6539900
1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
CID 45103811
12-Benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11761265
1-Benzyl-4-(4-methoxyphenyl)-1h-imidazole
CID 6539910
12-Benzyl-4-(3-methoxyphenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11036467
12-Benzyl-4-(2-methoxyphenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11047311
1-Benzyl-7-(4-methoxy-phenyl)-3-propyl-1H,8H-imidazo[2,1-f]purine-2,4-dione
CID 11464552
12-Benzyl-4-(4-methoxyphenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11825216
4-(4-Methoxyphenyl)-12-methyl-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 22415293
4-(2-Fluoro-4-methoxyphenyl)-12-methyl-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 22415294
(6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one
CID 25187263
2-[4-(4-Ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71585718

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (CID 135434086) is (5Z)-5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is COc1ccc(Cc2cn(Cc3ccc(OC)cc3)c(/N=C3\NC(=O)N(C)C3=O)n2)cc1.
What is the InChIKey of (5Z)-5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The InChIKey is USFHMQUNULPGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-27-21(29)20(26-23(27)30)25-22-24-17(12-15-4-8-18(31-2)9-5-15)14-28(22)13-16-6-10-19(32-3)11-7-16/h4-11,14H,12-13H2,1-3H3,(H,24,25,26,30).
What are the key properties of (5Z)-5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
(5Z)-5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione has a molecular weight of 433.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135434086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).