3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol

C14H18N2O — CID 115037876

IUPAC3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol
SMILESCc1[nH]c(C(C)(C)C)nc1-c1cccc(O)c1
InChIInChI=1S/C14H18N2O/c1-9-12(10-6-5-7-11(17)8-10)16-13(15-9)14(2,3)4/h5-8,17H,1-4H3,(H,15,16)
InChIKeyFBVFSTQPSITJPO-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.39
Rot. Bonds1

About 3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol

3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol (PubChem CID 115037876) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol.

Molecular Properties

Compound Name3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol
PubChem CID115037876
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol
SMILESCc1[nH]c(C(C)(C)C)nc1-c1cccc(O)c1
InChIInChI=1S/C14H18N2O/c1-9-12(10-6-5-7-11(17)8-10)16-13(15-9)14(2,3)4/h5-8,17H,1-4H3,(H,15,16)
InChIKeyFBVFSTQPSITJPO-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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Related Compounds

3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine
CID 79813477
2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol
CID 136594086
3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol
CID 164885092
3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol
CID 25001430
5-(3-hydroxyphenyl)-6-methyl-1H-pyrimidin-2-one
CID 13377503
4-tert-butyl-3-(3-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
CID 115391635
3-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenol
CID 22953773
3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol
CID 28942281
4-(3-hydroxyphenyl)-5-methyl-1,3-dihydroimidazol-2-one
CID 105444052
3-(2,3-dimethyl-4-pyridinyl)phenol
CID 20564329
4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol
CID 115023925
5-(3-bromophenyl)-2-tert-butyl-4-hydroxy-1H-pyrimidin-6-one
CID 79439466

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol?
The IUPAC name of 3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol (CID 115037876) is 3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol.
What is the SMILES notation for 3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol?
The canonical SMILES for 3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol is Cc1[nH]c(C(C)(C)C)nc1-c1cccc(O)c1.
What is the InChIKey of 3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol?
The InChIKey is FBVFSTQPSITJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-12(10-6-5-7-11(17)8-10)16-13(15-9)14(2,3)4/h5-8,17H,1-4H3,(H,15,16).
What are the key properties of 3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol?
3-(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 3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol is sourced from PubChem (CID 115037876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).