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

C25H24N2O3 — CID 71720504

IUPAC4,5-diphenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
SMILESCOc1cc(Cc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C25H24N2O3/c1-28-20-14-17(15-21(29-2)25(20)30-3)16-22-26-23(18-10-6-4-7-11-18)24(27-22)19-12-8-5-9-13-19/h4-15H,16H2,1-3H3,(H,26,27)
InChIKeyYJINIGTVMMRYEJ-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.36
Rot. Bonds7

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

4,5-diphenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole (PubChem CID 71720504) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4,5-diphenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name4,5-diphenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
PubChem CID71720504
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name4,5-diphenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
SMILESCOc1cc(Cc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C25H24N2O3/c1-28-20-14-17(15-21(29-2)25(20)30-3)16-22-26-23(18-10-6-4-7-11-18)24(27-22)19-12-8-5-9-13-19/h4-15H,16H2,1-3H3,(H,26,27)
InChIKeyYJINIGTVMMRYEJ-UHFFFAOYSA-N
XLogP5.36
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole?
The IUPAC name of 4,5-diphenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole (CID 71720504) is 4,5-diphenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 4,5-diphenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole?
The canonical SMILES for 4,5-diphenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole is COc1cc(Cc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1OC.
What is the InChIKey of 4,5-diphenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole?
The InChIKey is YJINIGTVMMRYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-28-20-14-17(15-21(29-2)25(20)30-3)16-22-26-23(18-10-6-4-7-11-18)24(27-22)19-12-8-5-9-13-19/h4-15H,16H2,1-3H3,(H,26,27).
What are the key properties of 4,5-diphenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole?
4,5-diphenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole has a molecular weight of 400.48 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 71720504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).