2-(3,4-dimethoxyphenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole

C15H22N2O3 — CID 2843837

IUPAC2-(3,4-dimethoxyphenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole
SMILESCCC1=NC(c2ccc(OC)c(OC)c2)N(O)C1(C)C
InChIInChI=1S/C15H22N2O3/c1-6-13-15(2,3)17(18)14(16-13)10-7-8-11(19-4)12(9-10)20-5/h7-9,14,18H,6H2,1-5H3
InChIKeyUIKHAKOFHJRPMR-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.04
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole

2-(3,4-dimethoxyphenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole (PubChem CID 2843837) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole
PubChem CID2843837
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(3,4-dimethoxyphenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole
SMILESCCC1=NC(c2ccc(OC)c(OC)c2)N(O)C1(C)C
InChIInChI=1S/C15H22N2O3/c1-6-13-15(2,3)17(18)14(16-13)10-7-8-11(19-4)12(9-10)20-5/h7-9,14,18H,6H2,1-5H3
InChIKeyUIKHAKOFHJRPMR-UHFFFAOYSA-N
XLogP3.04
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole (CID 2843837) is 2-(3,4-dimethoxyphenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole is CCC1=NC(c2ccc(OC)c(OC)c2)N(O)C1(C)C.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole?
The InChIKey is UIKHAKOFHJRPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-6-13-15(2,3)17(18)14(16-13)10-7-8-11(19-4)12(9-10)20-5/h7-9,14,18H,6H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole?
2-(3,4-dimethoxyphenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole has a molecular weight of 278.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-ethyl-1-hydroxy-5,5-dimethyl-2H-imidazole is sourced from PubChem (CID 2843837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).