5-[[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one

C26H30N6O5 — CID 10436230

IUPAC5-[[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one
SMILESC/N=C1/N=C(Nc2nc(Cc3ccc(OC)cc3)c(Cc3ccc(OC)c(OC)c3O)n2C)C(=O)N1C
InChIInChI=1S/C26H30N6O5/c1-27-25-29-23(24(34)32(25)3)30-26-28-18(13-15-7-10-17(35-4)11-8-15)19(31(26)2)14-16-9-12-20(36-5)22(37-6)21(16)33/h7-12,33H,13-14H2,1-6H3,(H,27,28,29,30)
InChIKeyYEZDHZOESSUWCE-UHFFFAOYSA-N
MW506.56 g/mol
LogP2.60
Rot. Bonds8

About 5-[[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one

5-[[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one (PubChem CID 10436230) has the molecular formula C26H30N6O5 and a molecular weight of 506.56 g/mol. Its IUPAC name is 5-[[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one.

Molecular Properties

Compound Name5-[[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one
PubChem CID10436230
Molecular FormulaC26H30N6O5
Molecular Weight506.56 g/mol
Exact Mass506.23
IUPAC Name5-[[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one
SMILESC/N=C1/N=C(Nc2nc(Cc3ccc(OC)cc3)c(Cc3ccc(OC)c(OC)c3O)n2C)C(=O)N1C
InChIInChI=1S/C26H30N6O5/c1-27-25-29-23(24(34)32(25)3)30-26-28-18(13-15-7-10-17(35-4)11-8-15)19(31(26)2)14-16-9-12-20(36-5)22(37-6)21(16)33/h7-12,33H,13-14H2,1-6H3,(H,27,28,29,30)
InChIKeyYEZDHZOESSUWCE-UHFFFAOYSA-N
XLogP2.60
TPSA122.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-[[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one?
The IUPAC name of 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) is 5-[[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one.
What is the SMILES notation for 5-[[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one?
The canonical SMILES for 5-[[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one is C/N=C1/N=C(Nc2nc(Cc3ccc(OC)cc3)c(Cc3ccc(OC)c(OC)c3O)n2C)C(=O)N1C.
What is the InChIKey of 5-[[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one?
The InChIKey is YEZDHZOESSUWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O5/c1-27-25-29-23(24(34)32(25)3)30-26-28-18(13-15-7-10-17(35-4)11-8-15)19(31(26)2)14-16-9-12-20(36-5)22(37-6)21(16)33/h7-12,33H,13-14H2,1-6H3,(H,27,28,29,30).
What are the key properties of 5-[[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one?
5-[[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one has a molecular weight of 506.56 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]amino]-3-methyl-2-methyliminoimidazol-4-one is sourced from PubChem (CID 10436230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).