2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole

C20H28N2O2 — CID 67456897

IUPAC2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole
SMILESCOc1cccc(-c2cn(CC3CCOCC3)c(C(C)(C)C)n2)c1
InChIInChI=1S/C20H28N2O2/c1-20(2,3)19-21-18(16-6-5-7-17(12-16)23-4)14-22(19)13-15-8-10-24-11-9-15/h5-7,12,14-15H,8-11,13H2,1-4H3
InChIKeyUYTNLFBZGCGKDE-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.28
Rot. Bonds4

About 2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole

2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole (PubChem CID 67456897) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole.

Molecular Properties

Compound Name2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole
PubChem CID67456897
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole
SMILESCOc1cccc(-c2cn(CC3CCOCC3)c(C(C)(C)C)n2)c1
InChIInChI=1S/C20H28N2O2/c1-20(2,3)19-21-18(16-6-5-7-17(12-16)23-4)14-22(19)13-15-8-10-24-11-9-15/h5-7,12,14-15H,8-11,13H2,1-4H3
InChIKeyUYTNLFBZGCGKDE-UHFFFAOYSA-N
XLogP4.28
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole?
The IUPAC name of 2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole (CID 67456897) is 2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole.
What is the SMILES notation for 2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole?
The canonical SMILES for 2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole is COc1cccc(-c2cn(CC3CCOCC3)c(C(C)(C)C)n2)c1.
What is the InChIKey of 2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole?
The InChIKey is UYTNLFBZGCGKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-20(2,3)19-21-18(16-6-5-7-17(12-16)23-4)14-22(19)13-15-8-10-24-11-9-15/h5-7,12,14-15H,8-11,13H2,1-4H3.
What are the key properties of 2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole?
2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole has a molecular weight of 328.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(3-methoxyphenyl)-1-(oxan-4-ylmethyl)imidazole is sourced from PubChem (CID 67456897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).