[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol

C17H24N2O — CID 63108311

IUPAC[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol
SMILESCc1cc(C(C)(C)C)cc(C)c1Cc1ncc(CO)[nH]1
InChIInChI=1S/C17H24N2O/c1-11-6-13(17(3,4)5)7-12(2)15(11)8-16-18-9-14(10-20)19-16/h6-7,9,20H,8,10H2,1-5H3,(H,18,19)
InChIKeyJBCJFIGNKJPBKF-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.41
Rot. Bonds3

About [2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol

[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol (PubChem CID 63108311) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol
PubChem CID63108311
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol
SMILESCc1cc(C(C)(C)C)cc(C)c1Cc1ncc(CO)[nH]1
InChIInChI=1S/C17H24N2O/c1-11-6-13(17(3,4)5)7-12(2)15(11)8-16-18-9-14(10-20)19-16/h6-7,9,20H,8,10H2,1-5H3,(H,18,19)
InChIKeyJBCJFIGNKJPBKF-UHFFFAOYSA-N
XLogP3.41
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol (CID 63108311) is [2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol is Cc1cc(C(C)(C)C)cc(C)c1Cc1ncc(CO)[nH]1.
What is the InChIKey of [2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol?
The InChIKey is JBCJFIGNKJPBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11-6-13(17(3,4)5)7-12(2)15(11)8-16-18-9-14(10-20)19-16/h6-7,9,20H,8,10H2,1-5H3,(H,18,19).
What are the key properties of [2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol?
[2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol has a molecular weight of 272.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 63108311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).