2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol

C15H20N2O — CID 3057035

IUPAC2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol
SMILESCc1cc(C)c(C)c(C(O)Cn2ccnc2)c1C
InChIInChI=1S/C15H20N2O/c1-10-7-11(2)13(4)15(12(10)3)14(18)8-17-6-5-16-9-17/h5-7,9,14,18H,8H2,1-4H3
InChIKeyVWMWTDOGXDTITE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.85
Rot. Bonds3

About 2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol

2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol (PubChem CID 3057035) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol
PubChem CID3057035
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol
SMILESCc1cc(C)c(C)c(C(O)Cn2ccnc2)c1C
InChIInChI=1S/C15H20N2O/c1-10-7-11(2)13(4)15(12(10)3)14(18)8-17-6-5-16-9-17/h5-7,9,14,18H,8H2,1-4H3
InChIKeyVWMWTDOGXDTITE-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol?
The IUPAC name of 2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol (CID 3057035) is 2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol.
What is the SMILES notation for 2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol?
The canonical SMILES for 2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol is Cc1cc(C)c(C)c(C(O)Cn2ccnc2)c1C.
What is the InChIKey of 2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol?
The InChIKey is VWMWTDOGXDTITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-7-11(2)13(4)15(12(10)3)14(18)8-17-6-5-16-9-17/h5-7,9,14,18H,8H2,1-4H3.
What are the key properties of 2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol?
2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol has a molecular weight of 244.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanol is sourced from PubChem (CID 3057035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).