4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole

C13H18N2O — CID 2843860

IUPAC4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole
SMILESCCC1=NC(c2ccccc2)N(O)C1(C)C
InChIInChI=1S/C13H18N2O/c1-4-11-13(2,3)15(16)12(14-11)10-8-6-5-7-9-10/h5-9,12,16H,4H2,1-3H3
InChIKeyOTIRBBMRSURCPC-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.02
Rot. Bonds2

About 4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole

4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole (PubChem CID 2843860) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole.

Molecular Properties

Compound Name4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole
PubChem CID2843860
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole
SMILESCCC1=NC(c2ccccc2)N(O)C1(C)C
InChIInChI=1S/C13H18N2O/c1-4-11-13(2,3)15(16)12(14-11)10-8-6-5-7-9-10/h5-9,12,16H,4H2,1-3H3
InChIKeyOTIRBBMRSURCPC-UHFFFAOYSA-N
XLogP3.02
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-piperidone oxime
CID 70365
1H-Imidazole, 2,5-dihydro-1-hydroxy-5,5-dimethyl-4-phenyl-, 3-oxide
CID 796149
2-Methyl-3-phenyl-1,4-diazaspiro[4.5]dec-3-en-1-ol 4-oxide
CID 2888441
2-(4-bromophenyl)-1-hydroxy-7a-methyl-4,5,6,7-tetrahydro-2H-benzimidazole
CID 4463525
2-(4-bromophenyl)-4-ethyl-5,5-dimethyl-2,5-dihydro-1H-imidazol-1-ol
CID 2843704
2-(4-fluorophenyl)-5,5-dimethyl-4-phenyl-2,5-dihydro-1H-imidazol-1-ol
CID 3235663
2,2,5,5-Tetramethyl-4-phenyl-1-imidazolidinol 3-oxide
CID 378672
4-Hydroxy-3-methyl-2-phenyl-1,4-diazaspiro[4.4]non-1-EN-1-ium-1-olate
CID 2887657
2-(2-chlorophenyl)-4-ethyl-5,5-dimethyl-2,5-dihydro-1H-imidazol-1-ol
CID 2843804
AJ-292/40413443
CID 3658422
5,5-Dimethyl-2,4-diphenyl-3-imidazolin-1-ol
CID 2834164
2-(2-fluorophenyl)-5,5-dimethyl-4-phenyl-2,5-dihydro-1H-imidazol-1-ol
CID 2834174

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole?
The IUPAC name of 4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole (CID 2843860) is 4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole.
What is the SMILES notation for 4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole?
The canonical SMILES for 4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole is CCC1=NC(c2ccccc2)N(O)C1(C)C.
What is the InChIKey of 4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole?
The InChIKey is OTIRBBMRSURCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-11-13(2,3)15(16)12(14-11)10-8-6-5-7-9-10/h5-9,12,16H,4H2,1-3H3.
What are the key properties of 4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole?
4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole has a molecular weight of 218.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-hydroxy-5,5-dimethyl-2-phenyl-2H-imidazole is sourced from PubChem (CID 2843860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).