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

C24H25N5O5 — CID 135517487

IUPAC(5E)-5-[4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
SMILESCOc1ccc(Cn2cc(Cc3ccc(OC)c(OC)c3)nc2/N=C2/NC(=O)N(C)C2=O)cc1
InChIInChI=1S/C24H25N5O5/c1-28-22(30)21(27-24(28)31)26-23-25-17(11-16-7-10-19(33-3)20(12-16)34-4)14-29(23)13-15-5-8-18(32-2)9-6-15/h5-10,12,14H,11,13H2,1-4H3,(H,25,26,27,31)
InChIKeyIAZXKPUWJIHMFV-UHFFFAOYSA-N
MW463.49 g/mol
LogP2.76
Rot. Bonds8

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

(5E)-5-[4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (PubChem CID 135517487) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is (5E)-5-[4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
PubChem CID135517487
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name(5E)-5-[4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
SMILESCOc1ccc(Cn2cc(Cc3ccc(OC)c(OC)c3)nc2/N=C2/NC(=O)N(C)C2=O)cc1
InChIInChI=1S/C24H25N5O5/c1-28-22(30)21(27-24(28)31)26-23-25-17(11-16-7-10-19(33-3)20(12-16)34-4)14-29(23)13-15-5-8-18(32-2)9-6-15/h5-10,12,14H,11,13H2,1-4H3,(H,25,26,27,31)
InChIKeyIAZXKPUWJIHMFV-UHFFFAOYSA-N
XLogP2.76
TPSA107.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
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

N-(2-(1,3-Benzodioxol-5-YL)ethyl)-1-(2-(1H-imidazol-1-YL)-6-methylpyrimidin-4-YL)-D-prolinamide
CID 16115747
Leucettamidine
CID 20704716
(2R)-N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-1-(6-ethyl-2-(1H-imidazol-1-yl)pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 16115748
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-
CID 1150890
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
2-(2-Imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidine-1-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-amide
CID 11531856
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidin-1-yl]acetamide
CID 11582528
2-(1,3-benzodioxol-5-ylmethylamino)-N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]acetamide
CID 11596038
2-(1,3-Benzodioxol-5-ylmethylamino)-1-[2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 11596934
1-[2-(1,3-Benzodioxol-5-yl)ethyl]-3-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]urea
CID 11646596
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
2-[2-(3,4-dimethoxyphenyl)-5-oxoimidazo[1,2-c]quinazolin-6-yl]-N,N-diethylacetamide
CID 15136031

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione (CID 135517487) is (5E)-5-[4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is COc1ccc(Cn2cc(Cc3ccc(OC)c(OC)c3)nc2/N=C2/NC(=O)N(C)C2=O)cc1.
What is the InChIKey of (5E)-5-[4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
The InChIKey is IAZXKPUWJIHMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-28-22(30)21(27-24(28)31)26-23-25-17(11-16-7-10-19(33-3)20(12-16)34-4)14-29(23)13-15-5-8-18(32-2)9-6-15/h5-10,12,14H,11,13H2,1-4H3,(H,25,26,27,31).
What are the key properties of (5E)-5-[4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione?
(5E)-5-[4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione has a molecular weight of 463.49 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[4-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 135517487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).