6-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,3-dimethoxyphenol

C21H25N3O4 — CID 10738736

IUPAC6-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,3-dimethoxyphenol
SMILESCOc1ccc(Cc2nc(N)n(C)c2Cc2ccc(OC)c(OC)c2O)cc1
InChIInChI=1S/C21H25N3O4/c1-24-17(12-14-7-10-18(27-3)20(28-4)19(14)25)16(23-21(24)22)11-13-5-8-15(26-2)9-6-13/h5-10,25H,11-12H2,1-4H3,(H2,22,23)
InChIKeyOTMBMZXGDGYWOV-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.92
Rot. Bonds7

About 6-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,3-dimethoxyphenol

6-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,3-dimethoxyphenol (PubChem CID 10738736) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,3-dimethoxyphenol.

Molecular Properties

Compound Name6-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,3-dimethoxyphenol
PubChem CID10738736
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name6-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,3-dimethoxyphenol
SMILESCOc1ccc(Cc2nc(N)n(C)c2Cc2ccc(OC)c(OC)c2O)cc1
InChIInChI=1S/C21H25N3O4/c1-24-17(12-14-7-10-18(27-3)20(28-4)19(14)25)16(23-21(24)22)11-13-5-8-15(26-2)9-6-13/h5-10,25H,11-12H2,1-4H3,(H2,22,23)
InChIKeyOTMBMZXGDGYWOV-UHFFFAOYSA-N
XLogP2.92
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,3-dimethoxyphenol?
The IUPAC name of 6-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,3-dimethoxyphenol (CID 10738736) is 6-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,3-dimethoxyphenol.
What is the SMILES notation for 6-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,3-dimethoxyphenol?
The canonical SMILES for 6-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,3-dimethoxyphenol is COc1ccc(Cc2nc(N)n(C)c2Cc2ccc(OC)c(OC)c2O)cc1.
What is the InChIKey of 6-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,3-dimethoxyphenol?
The InChIKey is OTMBMZXGDGYWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-24-17(12-14-7-10-18(27-3)20(28-4)19(14)25)16(23-21(24)22)11-13-5-8-15(26-2)9-6-13/h5-10,25H,11-12H2,1-4H3,(H2,22,23).
What are the key properties of 6-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,3-dimethoxyphenol?
6-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,3-dimethoxyphenol has a molecular weight of 383.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,3-dimethoxyphenol is sourced from PubChem (CID 10738736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).