1,4,5-tritert-butyl-2-methoxyimidazole

C16H30N2O — CID 164942918

IUPAC1,4,5-tritert-butyl-2-methoxyimidazole
SMILESCOc1nc(C(C)(C)C)c(C(C)(C)C)n1C(C)(C)C
InChIInChI=1S/C16H30N2O/c1-14(2,3)11-12(15(4,5)6)18(16(7,8)9)13(17-11)19-10/h1-10H3
InChIKeyFWJRDUJLJHGINW-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.24
Rot. Bonds1

About 1,4,5-tritert-butyl-2-methoxyimidazole

1,4,5-tritert-butyl-2-methoxyimidazole (PubChem CID 164942918) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1,4,5-tritert-butyl-2-methoxyimidazole.

Molecular Properties

Compound Name1,4,5-tritert-butyl-2-methoxyimidazole
PubChem CID164942918
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1,4,5-tritert-butyl-2-methoxyimidazole
SMILESCOc1nc(C(C)(C)C)c(C(C)(C)C)n1C(C)(C)C
InChIInChI=1S/C16H30N2O/c1-14(2,3)11-12(15(4,5)6)18(16(7,8)9)13(17-11)19-10/h1-10H3
InChIKeyFWJRDUJLJHGINW-UHFFFAOYSA-N
XLogP4.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,5-tritert-butyl-2-methoxyimidazole?
The IUPAC name of 1,4,5-tritert-butyl-2-methoxyimidazole (CID 164942918) is 1,4,5-tritert-butyl-2-methoxyimidazole.
What is the SMILES notation for 1,4,5-tritert-butyl-2-methoxyimidazole?
The canonical SMILES for 1,4,5-tritert-butyl-2-methoxyimidazole is COc1nc(C(C)(C)C)c(C(C)(C)C)n1C(C)(C)C.
What is the InChIKey of 1,4,5-tritert-butyl-2-methoxyimidazole?
The InChIKey is FWJRDUJLJHGINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14(2,3)11-12(15(4,5)6)18(16(7,8)9)13(17-11)19-10/h1-10H3.
What are the key properties of 1,4,5-tritert-butyl-2-methoxyimidazole?
1,4,5-tritert-butyl-2-methoxyimidazole has a molecular weight of 266.43 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-tritert-butyl-2-methoxyimidazole is sourced from PubChem (CID 164942918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).