1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole

C11H20N2O — CID 116798993

IUPAC1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole
SMILESCOCCC(C)(C)Cn1cncc1C
InChIInChI=1S/C11H20N2O/c1-10-7-12-9-13(10)8-11(2,3)5-6-14-4/h7,9H,5-6,8H2,1-4H3
InChIKeyNWLHGBGOKTWVSN-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.25
Rot. Bonds5

About 1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole

1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole (PubChem CID 116798993) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole.

Molecular Properties

Compound Name1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole
PubChem CID116798993
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole
SMILESCOCCC(C)(C)Cn1cncc1C
InChIInChI=1S/C11H20N2O/c1-10-7-12-9-13(10)8-11(2,3)5-6-14-4/h7,9H,5-6,8H2,1-4H3
InChIKeyNWLHGBGOKTWVSN-UHFFFAOYSA-N
XLogP2.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole?
The IUPAC name of 1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole (CID 116798993) is 1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole.
What is the SMILES notation for 1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole?
The canonical SMILES for 1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole is COCCC(C)(C)Cn1cncc1C.
What is the InChIKey of 1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole?
The InChIKey is NWLHGBGOKTWVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-10-7-12-9-13(10)8-11(2,3)5-6-14-4/h7,9H,5-6,8H2,1-4H3.
What are the key properties of 1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole?
1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole has a molecular weight of 196.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,2-dimethylbutyl)-5-methylimidazole is sourced from PubChem (CID 116798993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).