5-tert-butyl-4-methoxy-1H-imidazole

C8H14N2O — CID 146377693

IUPAC5-tert-butyl-4-methoxy-1H-imidazole
SMILESCOc1nc[nH]c1C(C)(C)C
InChIInChI=1S/C8H14N2O/c1-8(2,3)6-7(11-4)10-5-9-6/h5H,1-4H3,(H,9,10)
InChIKeyNBAWNWBDZGXNBS-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.72
Rot. Bonds1

About 5-tert-butyl-4-methoxy-1H-imidazole

5-tert-butyl-4-methoxy-1H-imidazole (PubChem CID 146377693) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-tert-butyl-4-methoxy-1H-imidazole.

Molecular Properties

Compound Name5-tert-butyl-4-methoxy-1H-imidazole
PubChem CID146377693
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-tert-butyl-4-methoxy-1H-imidazole
SMILESCOc1nc[nH]c1C(C)(C)C
InChIInChI=1S/C8H14N2O/c1-8(2,3)6-7(11-4)10-5-9-6/h5H,1-4H3,(H,9,10)
InChIKeyNBAWNWBDZGXNBS-UHFFFAOYSA-N
XLogP1.72
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methoxy-1H-imidazole?
The IUPAC name of 5-tert-butyl-4-methoxy-1H-imidazole (CID 146377693) is 5-tert-butyl-4-methoxy-1H-imidazole.
What is the SMILES notation for 5-tert-butyl-4-methoxy-1H-imidazole?
The canonical SMILES for 5-tert-butyl-4-methoxy-1H-imidazole is COc1nc[nH]c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-methoxy-1H-imidazole?
The InChIKey is NBAWNWBDZGXNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,3)6-7(11-4)10-5-9-6/h5H,1-4H3,(H,9,10).
What are the key properties of 5-tert-butyl-4-methoxy-1H-imidazole?
5-tert-butyl-4-methoxy-1H-imidazole has a molecular weight of 154.21 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methoxy-1H-imidazole is sourced from PubChem (CID 146377693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).