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

C21H25N3O4 — CID 11153300

IUPAC4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1ccc(Cc2nc(N)n(C)c2Cc2cc(OC)c(O)c(OC)c2)cc1
InChIInChI=1S/C21H25N3O4/c1-24-17(10-14-11-18(27-3)20(25)19(12-14)28-4)16(23-21(24)22)9-13-5-7-15(26-2)8-6-13/h5-8,11-12,25H,9-10H2,1-4H3,(H2,22,23)
InChIKeyDMFFDOWRZFDQGT-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.92
Rot. Bonds7

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

4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,6-dimethoxyphenol (PubChem CID 11153300) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,6-dimethoxyphenol
PubChem CID11153300
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1ccc(Cc2nc(N)n(C)c2Cc2cc(OC)c(O)c(OC)c2)cc1
InChIInChI=1S/C21H25N3O4/c1-24-17(10-14-11-18(27-3)20(25)19(12-14)28-4)16(23-21(24)22)9-13-5-7-15(26-2)8-6-13/h5-8,11-12,25H,9-10H2,1-4H3,(H2,22,23)
InChIKeyDMFFDOWRZFDQGT-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

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

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Related Compounds

Leucettamine A
CID 10021742
4-(4,5-diphenyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol
CID 1355348
Phenol, 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,6-dimethoxy-
CID 1842049
2-Methoxy-5-[3-methyl-5-(3,4,5-trimethoxy-phenyl)-3H-imidazol-4-yl]-phenylamine
CID 9799457
2-Methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline
CID 11728350
5-Phenyl-4-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
CID 71718679
4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
CID 154667056
2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol
CID 154667070
2,6-dimethoxy-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol
CID 154667091
Pyronaamidine
CID 135497146
Naamine E
CID 10970661
2-Methoxy-5-[3-(3,4,5-trimethoxy-phenyl)-3H-imidazol-4-yl]-phenol
CID 10959219

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,6-dimethoxyphenol (CID 11153300) is 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,6-dimethoxyphenol is COc1ccc(Cc2nc(N)n(C)c2Cc2cc(OC)c(O)c(OC)c2)cc1.
What is the InChIKey of 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,6-dimethoxyphenol?
The InChIKey is DMFFDOWRZFDQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-24-17(10-14-11-18(27-3)20(25)19(12-14)28-4)16(23-21(24)22)9-13-5-7-15(26-2)8-6-13/h5-8,11-12,25H,9-10H2,1-4H3,(H2,22,23).
What are the key properties of 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,6-dimethoxyphenol?
4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,6-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 4-[[2-amino-5-[(4-methoxyphenyl)methyl]-3-methylimidazol-4-yl]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 11153300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).