2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol

C16H22N2O — CID 3057018

IUPAC2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol
SMILESCc1c(C)c(C)c(C(O)Cn2ccnc2)c(C)c1C
InChIInChI=1S/C16H22N2O/c1-10-11(2)13(4)16(14(5)12(10)3)15(19)8-18-7-6-17-9-18/h6-7,9,15,19H,8H2,1-5H3
InChIKeyFHWSSJUYUPONQH-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.16
Rot. Bonds3

About 2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol

2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol (PubChem CID 3057018) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol
PubChem CID3057018
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol
SMILESCc1c(C)c(C)c(C(O)Cn2ccnc2)c(C)c1C
InChIInChI=1S/C16H22N2O/c1-10-11(2)13(4)16(14(5)12(10)3)15(19)8-18-7-6-17-9-18/h6-7,9,15,19H,8H2,1-5H3
InChIKeyFHWSSJUYUPONQH-UHFFFAOYSA-N
XLogP3.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760610
1-imidazol-1-yl-3-methylbutan-2-ol
CID 22324700
1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole
CID 53322953
1-(2-methylbutyl)imidazole
CID 59161437
1-(2-chlorophenyl)-2-imidazol-1-ylethanol
CID 12760607
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-(2,5-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760611
(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
1-[3-[(E)-but-2-en-2-yl]phenyl]-2-imidazol-1-ylethanol
CID 166313639
1-(2,2-dimethoxyethyl)imidazole
CID 12922722
1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol
CID 43165900
N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide
CID 54958672

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol?
The IUPAC name of 2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol (CID 3057018) is 2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol.
What is the SMILES notation for 2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol?
The canonical SMILES for 2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol is Cc1c(C)c(C)c(C(O)Cn2ccnc2)c(C)c1C.
What is the InChIKey of 2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol?
The InChIKey is FHWSSJUYUPONQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-11(2)13(4)16(14(5)12(10)3)15(19)8-18-7-6-17-9-18/h6-7,9,15,19H,8H2,1-5H3.
What are the key properties of 2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol?
2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol has a molecular weight of 258.36 g/mol, XLogP of 3.16, 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-(2,3,4,5,6-pentamethylphenyl)ethanol is sourced from PubChem (CID 3057018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).