1-tert-butyl-5-methoxy-4-methylimidazole

C9H16N2O — CID 146378071

IUPAC1-tert-butyl-5-methoxy-4-methylimidazole
SMILESCOc1c(C)ncn1C(C)(C)C
InChIInChI=1S/C9H16N2O/c1-7-8(12-5)11(6-10-7)9(2,3)4/h6H,1-5H3
InChIKeyBUIYNSAXCHIIFJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.96
Rot. Bonds1

About 1-tert-butyl-5-methoxy-4-methylimidazole

1-tert-butyl-5-methoxy-4-methylimidazole (PubChem CID 146378071) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-tert-butyl-5-methoxy-4-methylimidazole.

Molecular Properties

Compound Name1-tert-butyl-5-methoxy-4-methylimidazole
PubChem CID146378071
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-tert-butyl-5-methoxy-4-methylimidazole
SMILESCOc1c(C)ncn1C(C)(C)C
InChIInChI=1S/C9H16N2O/c1-7-8(12-5)11(6-10-7)9(2,3)4/h6H,1-5H3
InChIKeyBUIYNSAXCHIIFJ-UHFFFAOYSA-N
XLogP1.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methoxy-4-methylimidazole?
The IUPAC name of 1-tert-butyl-5-methoxy-4-methylimidazole (CID 146378071) is 1-tert-butyl-5-methoxy-4-methylimidazole.
What is the SMILES notation for 1-tert-butyl-5-methoxy-4-methylimidazole?
The canonical SMILES for 1-tert-butyl-5-methoxy-4-methylimidazole is COc1c(C)ncn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methoxy-4-methylimidazole?
The InChIKey is BUIYNSAXCHIIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-8(12-5)11(6-10-7)9(2,3)4/h6H,1-5H3.
What are the key properties of 1-tert-butyl-5-methoxy-4-methylimidazole?
1-tert-butyl-5-methoxy-4-methylimidazole has a molecular weight of 168.24 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methoxy-4-methylimidazole is sourced from PubChem (CID 146378071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).