[3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid

C26H27N3O6S — CID 91533265

IUPAC[3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid
SMILESCOc1cc(CS(=O)(=O)O)cc(-c2cccc(C3(c4ccc(OC)c(C)c4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C26H27N3O6S/c1-16-10-21(8-9-23(16)35-4)26(24(30)29(2)25(27)28-26)20-7-5-6-18(13-20)19-11-17(15-36(31,32)33)12-22(14-19)34-3/h5-14H,15H2,1-4H3,(H2,27,28)(H,31,32,33)
InChIKeyOQBIHGXROOCPRZ-UHFFFAOYSA-N
MW509.58 g/mol
LogP3.10
Rot. Bonds7

About [3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid

[3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid (PubChem CID 91533265) has the molecular formula C26H27N3O6S and a molecular weight of 509.58 g/mol. Its IUPAC name is [3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid.

Molecular Properties

Compound Name[3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid
PubChem CID91533265
Molecular FormulaC26H27N3O6S
Molecular Weight509.58 g/mol
Exact Mass509.16
IUPAC Name[3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid
SMILESCOc1cc(CS(=O)(=O)O)cc(-c2cccc(C3(c4ccc(OC)c(C)c4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C26H27N3O6S/c1-16-10-21(8-9-23(16)35-4)26(24(30)29(2)25(27)28-26)20-7-5-6-18(13-20)19-11-17(15-36(31,32)33)12-22(14-19)34-3/h5-14H,15H2,1-4H3,(H2,27,28)(H,31,32,33)
InChIKeyOQBIHGXROOCPRZ-UHFFFAOYSA-N
XLogP3.10
TPSA131.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.58
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid with MolForge

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

Launch Full Analysis

Related Compounds

(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 11682506
[3-[3-[2-amino-1-methyl-5-oxo-4-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonate
CID 152762993
2-amino-5-[3-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-methoxyphenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;hydrochloride
CID 87622032
[3-[3-[2-amino-4-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl] methanesulfonate
CID 87682520
2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-(4-methylphenyl)imidazol-4-one;trifluoromethanethiol
CID 143463779
[3-[3-[2-amino-1-methyl-5-oxo-4-(4-propylsulfinyloxyphenyl)imidazol-4-yl]phenyl]-5-methoxyphenyl] methanesulfonate
CID 143463786
2-amino-5-(4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 141128111
1-[4-[2-amino-4-[3-(2,6-difluoro-3-methoxyphenyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]propane-1-sulfonic acid
CID 87748239
[3-[2-amino-4-(3-bromophenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]methanesulfonic acid
CID 90849888
[4-[2-amino-4-[3-(5-methoxy-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl] propane-1-sulfonate;hydrochloride
CID 87682247
CID 161228017
CID 161228017
2-[4-[2-amino-4-[3-(2-fluoro-5-methoxyphenyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl]-2-methoxyethanesulfonic acid
CID 87748272

Frequently Asked Questions

What is the IUPAC name of [3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid?
The IUPAC name of [3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid (CID 91533265) is [3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid.
What is the SMILES notation for [3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid?
The canonical SMILES for [3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid is COc1cc(CS(=O)(=O)O)cc(-c2cccc(C3(c4ccc(OC)c(C)c4)N=C(N)N(C)C3=O)c2)c1.
What is the InChIKey of [3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid?
The InChIKey is OQBIHGXROOCPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6S/c1-16-10-21(8-9-23(16)35-4)26(24(30)29(2)25(27)28-26)20-7-5-6-18(13-20)19-11-17(15-36(31,32)33)12-22(14-19)34-3/h5-14H,15H2,1-4H3,(H2,27,28)(H,31,32,33).
What are the key properties of [3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid?
[3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid has a molecular weight of 509.58 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]-5-methoxyphenyl]methanesulfonic acid is sourced from PubChem (CID 91533265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).