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

C9H16N2O — CID 57217126

IUPAC5-tert-butyl-2-ethyl-1H-imidazol-4-ol
SMILESCCc1nc(O)c(C(C)(C)C)[nH]1
InChIInChI=1S/C9H16N2O/c1-5-6-10-7(8(12)11-6)9(2,3)4/h12H,5H2,1-4H3,(H,10,11)
InChIKeyCLEZGPVLZXELKI-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.98
Rot. Bonds1

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

5-tert-butyl-2-ethyl-1H-imidazol-4-ol (PubChem CID 57217126) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1H-imidazol-4-ol
PubChem CID57217126
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name5-tert-butyl-2-ethyl-1H-imidazol-4-ol
SMILESCCc1nc(O)c(C(C)(C)C)[nH]1
InChIInChI=1S/C9H16N2O/c1-5-6-10-7(8(12)11-6)9(2,3)4/h12H,5H2,1-4H3,(H,10,11)
InChIKeyCLEZGPVLZXELKI-UHFFFAOYSA-N
XLogP1.98
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1H-imidazol-4-ol?
The IUPAC name of 5-tert-butyl-2-ethyl-1H-imidazol-4-ol (CID 57217126) is 5-tert-butyl-2-ethyl-1H-imidazol-4-ol.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1H-imidazol-4-ol?
The canonical SMILES for 5-tert-butyl-2-ethyl-1H-imidazol-4-ol is CCc1nc(O)c(C(C)(C)C)[nH]1.
What is the InChIKey of 5-tert-butyl-2-ethyl-1H-imidazol-4-ol?
The InChIKey is CLEZGPVLZXELKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-6-10-7(8(12)11-6)9(2,3)4/h12H,5H2,1-4H3,(H,10,11).
What are the key properties of 5-tert-butyl-2-ethyl-1H-imidazol-4-ol?
5-tert-butyl-2-ethyl-1H-imidazol-4-ol has a molecular weight of 168.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1H-imidazol-4-ol is sourced from PubChem (CID 57217126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).