5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid

C22H25N3O5 — CID 163326916

IUPAC5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
SMILESCCOc1ccc(-c2cnc(NCc3ccc(C)cc3)n2C)cc1.O=C(O)C(=O)O
InChIInChI=1S/C20H23N3O.C2H2O4/c1-4-24-18-11-9-17(10-12-18)19-14-22-20(23(19)3)21-13-16-7-5-15(2)6-8-16;3-1(4)2(5)6/h5-12,14H,4,13H2,1-3H3,(H,21,22);(H,3,4)(H,5,6)
InChIKeyJOLNEENYWCGZCL-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.56
Rot. Bonds6

About 5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid

5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid (PubChem CID 163326916) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
PubChem CID163326916
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
SMILESCCOc1ccc(-c2cnc(NCc3ccc(C)cc3)n2C)cc1.O=C(O)C(=O)O
InChIInChI=1S/C20H23N3O.C2H2O4/c1-4-24-18-11-9-17(10-12-18)19-14-22-20(23(19)3)21-13-16-7-5-15(2)6-8-16;3-1(4)2(5)6/h5-12,14H,4,13H2,1-3H3,(H,21,22);(H,3,4)(H,5,6)
InChIKeyJOLNEENYWCGZCL-UHFFFAOYSA-N
XLogP3.56
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163327528
5-(3-methoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 126460185
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine;oxalic acid
CID 163326908
5-(3,4-dimethylphenyl)-N-[(4-ethylphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 163326874
5-(1,3-benzodioxol-5-yl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 646935
4-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-ethoxyphenol;oxalic acid
CID 163327411
4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]benzonitrile
CID 51362157
4-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]benzonitrile;oxalic acid
CID 163327425
1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine;oxalic acid
CID 126460493
N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide
CID 3917768
N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
CID 163327759
1-butyl-N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)imidazol-2-amine;oxalic acid
CID 146051200

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid?
The IUPAC name of 5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid (CID 163326916) is 5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid.
What is the SMILES notation for 5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid?
The canonical SMILES for 5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid is CCOc1ccc(-c2cnc(NCc3ccc(C)cc3)n2C)cc1.O=C(O)C(=O)O.
What is the InChIKey of 5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid?
The InChIKey is JOLNEENYWCGZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.C2H2O4/c1-4-24-18-11-9-17(10-12-18)19-14-22-20(23(19)3)21-13-16-7-5-15(2)6-8-16;3-1(4)2(5)6/h5-12,14H,4,13H2,1-3H3,(H,21,22);(H,3,4)(H,5,6).
What are the key properties of 5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid?
5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid has a molecular weight of 411.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid is sourced from PubChem (CID 163326916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).