5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid

C26H25N3O6 — CID 163327777

IUPAC5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid
SMILESCOc1cccc(-c2cnc(NCc3cccc(Oc4ccccc4)c3)n2C)c1.O=C(O)C(=O)O
InChIInChI=1S/C24H23N3O2.C2H2O4/c1-27-23(19-9-7-12-21(15-19)28-2)17-26-24(27)25-16-18-8-6-13-22(14-18)29-20-10-4-3-5-11-20;3-1(4)2(5)6/h3-15,17H,16H2,1-2H3,(H,25,26);(H,3,4)(H,5,6)
InChIKeyYBPQNHSECZLDAU-UHFFFAOYSA-N
MW475.50 g/mol
LogP4.66
Rot. Bonds7

About 5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid

5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid (PubChem CID 163327777) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid
PubChem CID163327777
Molecular FormulaC26H25N3O6
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC Name5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid
SMILESCOc1cccc(-c2cnc(NCc3cccc(Oc4ccccc4)c3)n2C)c1.O=C(O)C(=O)O
InChIInChI=1S/C24H23N3O2.C2H2O4/c1-27-23(19-9-7-12-21(15-19)28-2)17-26-24(27)25-16-18-8-6-13-22(14-18)29-20-10-4-3-5-11-20;3-1(4)2(5)6/h3-15,17H,16H2,1-2H3,(H,25,26);(H,3,4)(H,5,6)
InChIKeyYBPQNHSECZLDAU-UHFFFAOYSA-N
XLogP4.66
TPSA122.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 126468009
5-(3-methoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 126460185
5-(4-bromophenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 126460429
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
CID 163327719
N-[(3-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-1-methylimidazol-2-amine;oxalic acid
CID 163326888
N-[(2,6-dichlorophenyl)methyl]-1-methyl-5-phenylimidazol-2-amine;oxalic acid
CID 163327080
1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine;oxalic acid
CID 126460493
N-[(4-bromophenyl)methyl]-1-methyl-5-(3-nitrophenyl)imidazol-2-amine;oxalic acid
CID 163327459
5-(1,3-benzodioxol-5-yl)-N-[(3-chlorophenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 650426
1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163327528
1-methyl-5-phenyl-N-(pyridin-3-ylmethyl)imidazol-2-amine
CID 51361863
4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol
CID 3566909

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid?
The IUPAC name of 5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid (CID 163327777) is 5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid.
What is the SMILES notation for 5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid?
The canonical SMILES for 5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid is COc1cccc(-c2cnc(NCc3cccc(Oc4ccccc4)c3)n2C)c1.O=C(O)C(=O)O.
What is the InChIKey of 5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid?
The InChIKey is YBPQNHSECZLDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2.C2H2O4/c1-27-23(19-9-7-12-21(15-19)28-2)17-26-24(27)25-16-18-8-6-13-22(14-18)29-20-10-4-3-5-11-20;3-1(4)2(5)6/h3-15,17H,16H2,1-2H3,(H,25,26);(H,3,4)(H,5,6).
What are the key properties of 5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid?
5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid has a molecular weight of 475.50 g/mol, XLogP of 4.66, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1-methyl-N-[(3-phenoxyphenyl)methyl]imidazol-2-amine;oxalic acid is sourced from PubChem (CID 163327777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).