5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol

C8H12N2O — CID 21031485

IUPAC5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol
SMILESC=CC(C)(C)c1[nH]cnc1O
InChIInChI=1S/C8H12N2O/c1-4-8(2,3)6-7(11)10-5-9-6/h4-5,11H,1H2,2-3H3,(H,9,10)
InChIKeyZGWALNVLZVWLRF-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.58
Rot. Bonds2

About 5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol

5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol (PubChem CID 21031485) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol
PubChem CID21031485
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol
SMILESC=CC(C)(C)c1[nH]cnc1O
InChIInChI=1S/C8H12N2O/c1-4-8(2,3)6-7(11)10-5-9-6/h4-5,11H,1H2,2-3H3,(H,9,10)
InChIKeyZGWALNVLZVWLRF-UHFFFAOYSA-N
XLogP1.58
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol?
The IUPAC name of 5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol (CID 21031485) is 5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol.
What is the SMILES notation for 5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol?
The canonical SMILES for 5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol is C=CC(C)(C)c1[nH]cnc1O.
What is the InChIKey of 5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol?
The InChIKey is ZGWALNVLZVWLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-8(2,3)6-7(11)10-5-9-6/h4-5,11H,1H2,2-3H3,(H,9,10).
What are the key properties of 5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol?
5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol has a molecular weight of 152.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol is sourced from PubChem (CID 21031485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).