4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole

C23H20N2O2 — CID 71614056

IUPAC4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole
SMILESCOc1ccc(-c2cn(-c3ccccc3)c(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C23H20N2O2/c1-26-19-13-14-20(22(15-19)27-2)21-16-25(18-11-7-4-8-12-18)23(24-21)17-9-5-3-6-10-17/h3-16H,1-2H3
InChIKeyHRTSTWBIPFZOQC-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.22
Rot. Bonds5

About 4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole

4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole (PubChem CID 71614056) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole
PubChem CID71614056
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole
SMILESCOc1ccc(-c2cn(-c3ccccc3)c(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C23H20N2O2/c1-26-19-13-14-20(22(15-19)27-2)21-16-25(18-11-7-4-8-12-18)23(24-21)17-9-5-3-6-10-17/h3-16H,1-2H3
InChIKeyHRTSTWBIPFZOQC-UHFFFAOYSA-N
XLogP5.22
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole (CID 71614056) is 4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole is COc1ccc(-c2cn(-c3ccccc3)c(-c3ccccc3)n2)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole?
The InChIKey is HRTSTWBIPFZOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-26-19-13-14-20(22(15-19)27-2)21-16-25(18-11-7-4-8-12-18)23(24-21)17-9-5-3-6-10-17/h3-16H,1-2H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole?
4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole has a molecular weight of 356.43 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole is sourced from PubChem (CID 71614056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).