5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole

C19H20N2O3 — CID 71717474

IUPAC5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
SMILESCOc1cc(Cc2ncc(-c3ccccc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O3/c1-22-16-9-13(10-17(23-2)19(16)24-3)11-18-20-12-15(21-18)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyFRXUVURKBGXAHB-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.69
Rot. Bonds6

About 5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole

5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole (PubChem CID 71717474) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
PubChem CID71717474
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
SMILESCOc1cc(Cc2ncc(-c3ccccc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O3/c1-22-16-9-13(10-17(23-2)19(16)24-3)11-18-20-12-15(21-18)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyFRXUVURKBGXAHB-UHFFFAOYSA-N
XLogP3.69
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole?
The IUPAC name of 5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole (CID 71717474) is 5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole?
The canonical SMILES for 5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole is COc1cc(Cc2ncc(-c3ccccc3)[nH]2)cc(OC)c1OC.
What is the InChIKey of 5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole?
The InChIKey is FRXUVURKBGXAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-22-16-9-13(10-17(23-2)19(16)24-3)11-18-20-12-15(21-18)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of 5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole?
5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole has a molecular weight of 324.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 71717474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).