3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol

C18H26N2O — CID 70412213

IUPAC3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol
SMILESCc1ccc(-c2nc(C(C)(C)C)c(CC(C)CO)[nH]2)cc1
InChIInChI=1S/C18H26N2O/c1-12-6-8-14(9-7-12)17-19-15(10-13(2)11-21)16(20-17)18(3,4)5/h6-9,13,21H,10-11H2,1-5H3,(H,19,20)
InChIKeyIWHJGQUSEWRGHU-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.85
Rot. Bonds4

About 3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol

3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol (PubChem CID 70412213) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol
PubChem CID70412213
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol
SMILESCc1ccc(-c2nc(C(C)(C)C)c(CC(C)CO)[nH]2)cc1
InChIInChI=1S/C18H26N2O/c1-12-6-8-14(9-7-12)17-19-15(10-13(2)11-21)16(20-17)18(3,4)5/h6-9,13,21H,10-11H2,1-5H3,(H,19,20)
InChIKeyIWHJGQUSEWRGHU-UHFFFAOYSA-N
XLogP3.85
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol?
The IUPAC name of 3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol (CID 70412213) is 3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol is Cc1ccc(-c2nc(C(C)(C)C)c(CC(C)CO)[nH]2)cc1.
What is the InChIKey of 3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol?
The InChIKey is IWHJGQUSEWRGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-6-8-14(9-7-12)17-19-15(10-13(2)11-21)16(20-17)18(3,4)5/h6-9,13,21H,10-11H2,1-5H3,(H,19,20).
What are the key properties of 3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol?
3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol has a molecular weight of 286.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-tert-butyl-2-(4-methylphenyl)-1H-imidazol-5-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 70412213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).