5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione

C24H25N5O5 — CID 135511072

IUPAC5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
SMILESCOc1ccc(Cc2nc(N=C3NC(=O)N(C)C3=O)n(C)c2Cc2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C24H25N5O5/c1-28-18(12-15-7-10-20(34-4)19(30)13-15)17(11-14-5-8-16(33-3)9-6-14)25-23(28)26-21-22(31)29(2)24(32)27-21/h5-10,13,30H,11-12H2,1-4H3,(H,25,26,27,32)
InChIKeyZTINURUARMNVOJ-UHFFFAOYSA-N
MW463.49 g/mol
LogP2.54
Rot. Bonds7

About 5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione

5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (PubChem CID 135511072) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is 5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
PubChem CID135511072
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
SMILESCOc1ccc(Cc2nc(N=C3NC(=O)N(C)C3=O)n(C)c2Cc2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C24H25N5O5/c1-28-18(12-15-7-10-20(34-4)19(30)13-15)17(11-14-5-8-16(33-3)9-6-14)25-23(28)26-21-22(31)29(2)24(32)27-21/h5-10,13,30H,11-12H2,1-4H3,(H,25,26,27,32)
InChIKeyZTINURUARMNVOJ-UHFFFAOYSA-N
XLogP2.54
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Leucettamine A
CID 10021742
Leucettamidine
CID 20704716
Pyronaamidine
CID 135497146
Isonaamidine E
CID 135517487
Naamidine A
CID 135455949
5-[1-(4-Hydroxy-benzyl)-4-(4-methoxy-benzyl)-1H-imidazol-2-ylamino]-3-methyl-imidazole-2,4-dione
CID 135512509
Naamine E
CID 10970661
Naamine G
CID 11153300
4-({4,5-Bis[(4-methoxyphenyl)methyl]-1-methyl-1H-imidazol-2-yl}amino)-1-methyl-1H-imidazole-2,5-dione
CID 135517474
5-[[5-[(2-Hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one
CID 10436230
Naamidine I
CID 23656634
Clathridine
CID 135499602

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (CID 135511072) is 5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is COc1ccc(Cc2nc(N=C3NC(=O)N(C)C3=O)n(C)c2Cc2ccc(OC)c(O)c2)cc1.
What is the InChIKey of 5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The InChIKey is ZTINURUARMNVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-28-18(12-15-7-10-20(34-4)19(30)13-15)17(11-14-5-8-16(33-3)9-6-14)25-23(28)26-21-22(31)29(2)24(32)27-21/h5-10,13,30H,11-12H2,1-4H3,(H,25,26,27,32).
What are the key properties of 5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione has a molecular weight of 463.49 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135511072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).