5-tert-butyl-4-methoxy-1,2-dimethylimidazole

C10H18N2O — CID 146377955

IUPAC5-tert-butyl-4-methoxy-1,2-dimethylimidazole
SMILESCOc1nc(C)n(C)c1C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-7-11-9(13-6)8(12(7)5)10(2,3)4/h1-6H3
InChIKeySPQVTBYEWHAWOQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.03
Rot. Bonds1

About 5-tert-butyl-4-methoxy-1,2-dimethylimidazole

5-tert-butyl-4-methoxy-1,2-dimethylimidazole (PubChem CID 146377955) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-tert-butyl-4-methoxy-1,2-dimethylimidazole.

Molecular Properties

Compound Name5-tert-butyl-4-methoxy-1,2-dimethylimidazole
PubChem CID146377955
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name5-tert-butyl-4-methoxy-1,2-dimethylimidazole
SMILESCOc1nc(C)n(C)c1C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-7-11-9(13-6)8(12(7)5)10(2,3)4/h1-6H3
InChIKeySPQVTBYEWHAWOQ-UHFFFAOYSA-N
XLogP2.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methoxy-1,2-dimethylimidazole?
The IUPAC name of 5-tert-butyl-4-methoxy-1,2-dimethylimidazole (CID 146377955) is 5-tert-butyl-4-methoxy-1,2-dimethylimidazole.
What is the SMILES notation for 5-tert-butyl-4-methoxy-1,2-dimethylimidazole?
The canonical SMILES for 5-tert-butyl-4-methoxy-1,2-dimethylimidazole is COc1nc(C)n(C)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-methoxy-1,2-dimethylimidazole?
The InChIKey is SPQVTBYEWHAWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7-11-9(13-6)8(12(7)5)10(2,3)4/h1-6H3.
What are the key properties of 5-tert-butyl-4-methoxy-1,2-dimethylimidazole?
5-tert-butyl-4-methoxy-1,2-dimethylimidazole has a molecular weight of 182.27 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methoxy-1,2-dimethylimidazole is sourced from PubChem (CID 146377955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).