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

C27H27N3O5 — CID 163327759

IUPACN-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
SMILESCCOc1ccccc1CNc1ncc(-c2ccc(-c3ccccc3)cc2)n1C.O=C(O)C(=O)O
InChIInChI=1S/C25H25N3O.C2H2O4/c1-3-29-24-12-8-7-11-22(24)17-26-25-27-18-23(28(25)2)21-15-13-20(14-16-21)19-9-5-4-6-10-19;3-1(4)2(5)6/h4-16,18H,3,17H2,1-2H3,(H,26,27);(H,3,4)(H,5,6)
InChIKeyVPELFPUVIUDHJE-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.92
Rot. Bonds7

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

N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid (PubChem CID 163327759) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
PubChem CID163327759
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
SMILESCCOc1ccccc1CNc1ncc(-c2ccc(-c3ccccc3)cc2)n1C.O=C(O)C(=O)O
InChIInChI=1S/C25H25N3O.C2H2O4/c1-3-29-24-12-8-7-11-22(24)17-26-25-27-18-23(28(25)2)21-15-13-20(14-16-21)19-9-5-4-6-10-19;3-1(4)2(5)6/h4-16,18H,3,17H2,1-2H3,(H,26,27);(H,3,4)(H,5,6)
InChIKeyVPELFPUVIUDHJE-UHFFFAOYSA-N
XLogP4.92
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.92
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

N-[(2-chlorophenyl)methyl]-5-(4-ethoxyphenyl)-1-methylimidazol-2-amine;oxalic acid
CID 163326908
2-[[[5-(4-fluorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid
CID 163327488
N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine
CID 4654948
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid
CID 163327719
2-[[[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol;oxalic acid
CID 163326889
4-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-ethoxyphenol;oxalic acid
CID 163327411
1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163327528
1-methyl-N-[(4-methylsulfanylphenyl)methyl]-5-phenylimidazol-2-amine;oxalic acid
CID 126460493
N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3643106
N-[(2,3-dimethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3643108
5-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)imidazol-2-amine;oxalic acid
CID 163327483
N-[(3-bromophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine;oxalic acid
CID 163327530

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid (CID 163327759) is N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid is CCOc1ccccc1CNc1ncc(-c2ccc(-c3ccccc3)cc2)n1C.O=C(O)C(=O)O.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid?
The InChIKey is VPELFPUVIUDHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O.C2H2O4/c1-3-29-24-12-8-7-11-22(24)17-26-25-27-18-23(28(25)2)21-15-13-20(14-16-21)19-9-5-4-6-10-19;3-1(4)2(5)6/h4-16,18H,3,17H2,1-2H3,(H,26,27);(H,3,4)(H,5,6).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid?
N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid has a molecular weight of 473.53 g/mol, XLogP of 4.92, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(4-phenylphenyl)imidazol-2-amine;oxalic acid is sourced from PubChem (CID 163327759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).