4-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol

C14H18N2O — CID 59836544

IUPAC4-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol
SMILESCc1[nH]c(C(C)(C)C)nc1-c1ccc(O)cc1
InChIInChI=1S/C14H18N2O/c1-9-12(10-5-7-11(17)8-6-10)16-13(15-9)14(2,3)4/h5-8,17H,1-4H3,(H,15,16)
InChIKeyHSPXHKAGZSPACH-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.39
Rot. Bonds1

About 4-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol

4-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol (PubChem CID 59836544) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol.

Molecular Properties

Compound Name4-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol
PubChem CID59836544
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol
SMILESCc1[nH]c(C(C)(C)C)nc1-c1ccc(O)cc1
InChIInChI=1S/C14H18N2O/c1-9-12(10-5-7-11(17)8-6-10)16-13(15-9)14(2,3)4/h5-8,17H,1-4H3,(H,15,16)
InChIKeyHSPXHKAGZSPACH-UHFFFAOYSA-N
XLogP3.39
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol?
The IUPAC name of 4-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol (CID 59836544) is 4-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol.
What is the SMILES notation for 4-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol?
The canonical SMILES for 4-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol is Cc1[nH]c(C(C)(C)C)nc1-c1ccc(O)cc1.
What is the InChIKey of 4-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol?
The InChIKey is HSPXHKAGZSPACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-12(10-5-7-11(17)8-6-10)16-13(15-9)14(2,3)4/h5-8,17H,1-4H3,(H,15,16).
What are the key properties of 4-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol?
4-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol has a molecular weight of 230.31 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol is sourced from PubChem (CID 59836544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).