4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol

C25H33N3O4 — CID 45147032

IUPAC4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol
SMILESCCOc1ccc(-c2cnc(NCc3cc(OC)c(O)c(OC)c3)n2CC(C)CC)cc1
InChIInChI=1S/C25H33N3O4/c1-6-17(3)16-28-21(19-8-10-20(11-9-19)32-7-2)15-27-25(28)26-14-18-12-22(30-4)24(29)23(13-18)31-5/h8-13,15,17,29H,6-7,14,16H2,1-5H3,(H,26,27)
InChIKeyVDGJMAGHEKWVMC-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.33
Rot. Bonds11

About 4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol

4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol (PubChem CID 45147032) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol
PubChem CID45147032
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol
SMILESCCOc1ccc(-c2cnc(NCc3cc(OC)c(O)c(OC)c3)n2CC(C)CC)cc1
InChIInChI=1S/C25H33N3O4/c1-6-17(3)16-28-21(19-8-10-20(11-9-19)32-7-2)15-27-25(28)26-14-18-12-22(30-4)24(29)23(13-18)31-5/h8-13,15,17,29H,6-7,14,16H2,1-5H3,(H,26,27)
InChIKeyVDGJMAGHEKWVMC-UHFFFAOYSA-N
XLogP5.33
TPSA77.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-amine
CID 51362459
2,6-dimethoxy-4-[[[1-methyl-5-(4-methylphenyl)imidazol-2-yl]amino]methyl]phenol
CID 3635678
2-bromo-4-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-6-methoxyphenol
CID 4212879
5-(4-ethoxyphenyl)-1-(2-methoxyethyl)-N-(2-methylpropyl)imidazol-2-amine
CID 3339952
2-bromo-4-[(4-ethoxyanilino)methyl]-6-methoxyphenol
CID 29041411
1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine
CID 4268293
1-butyl-N-[(3-chlorophenyl)methyl]-5-(4-ethoxyphenyl)imidazol-2-amine;oxalic acid
CID 146051200
4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol
CID 3284600
5-(4-ethoxyphenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163326916
4-[[[5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-yl]amino]methyl]-2-bromo-6-methoxyphenol
CID 3391166
5-(diethylamino)-2-[[[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]amino]methyl]phenol
CID 3665509
4-[[[5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-bromo-6-methoxyphenol;oxalic acid
CID 163327051

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol (CID 45147032) is 4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol is CCOc1ccc(-c2cnc(NCc3cc(OC)c(O)c(OC)c3)n2CC(C)CC)cc1.
What is the InChIKey of 4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol?
The InChIKey is VDGJMAGHEKWVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-6-17(3)16-28-21(19-8-10-20(11-9-19)32-7-2)15-27-25(28)26-14-18-12-22(30-4)24(29)23(13-18)31-5/h8-13,15,17,29H,6-7,14,16H2,1-5H3,(H,26,27).
What are the key properties of 4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol?
4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol has a molecular weight of 439.56 g/mol, XLogP of 5.33, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(4-ethoxyphenyl)-1-(2-methylbutyl)imidazol-2-yl]amino]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 45147032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).