2-tert-butyl-5-methyl-1H-imidazol-4-ol

C8H14N2O — CID 91552424

IUPAC2-tert-butyl-5-methyl-1H-imidazol-4-ol
SMILESCc1[nH]c(C(C)(C)C)nc1O
InChIInChI=1S/C8H14N2O/c1-5-6(11)10-7(9-5)8(2,3)4/h11H,1-4H3,(H,9,10)
InChIKeyMATHLQFLWTYEST-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.72
Rot. Bonds

About 2-tert-butyl-5-methyl-1H-imidazol-4-ol

2-tert-butyl-5-methyl-1H-imidazol-4-ol (PubChem CID 91552424) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-1H-imidazol-4-ol
PubChem CID91552424
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-tert-butyl-5-methyl-1H-imidazol-4-ol
SMILESCc1[nH]c(C(C)(C)C)nc1O
InChIInChI=1S/C8H14N2O/c1-5-6(11)10-7(9-5)8(2,3)4/h11H,1-4H3,(H,9,10)
InChIKeyMATHLQFLWTYEST-UHFFFAOYSA-N
XLogP1.72
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-1H-imidazol-4-ol?
The IUPAC name of 2-tert-butyl-5-methyl-1H-imidazol-4-ol (CID 91552424) is 2-tert-butyl-5-methyl-1H-imidazol-4-ol.
What is the SMILES notation for 2-tert-butyl-5-methyl-1H-imidazol-4-ol?
The canonical SMILES for 2-tert-butyl-5-methyl-1H-imidazol-4-ol is Cc1[nH]c(C(C)(C)C)nc1O.
What is the InChIKey of 2-tert-butyl-5-methyl-1H-imidazol-4-ol?
The InChIKey is MATHLQFLWTYEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-6(11)10-7(9-5)8(2,3)4/h11H,1-4H3,(H,9,10).
What are the key properties of 2-tert-butyl-5-methyl-1H-imidazol-4-ol?
2-tert-butyl-5-methyl-1H-imidazol-4-ol has a molecular weight of 154.21 g/mol, XLogP of 1.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-1H-imidazol-4-ol is sourced from PubChem (CID 91552424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).