2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanol

C14H19N2O+ — CID 11638172

IUPAC2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanol
SMILESCc1cc(C)c(-n2cc[n+](CCO)c2)c(C)c1
InChIInChI=1S/C14H19N2O/c1-11-8-12(2)14(13(3)9-11)16-5-4-15(10-16)6-7-17/h4-5,8-10,17H,6-7H2,1-3H3/q+1
InChIKeyDDORAZQFDKRZTH-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.68
Rot. Bonds3

About 2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanol

2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanol (PubChem CID 11638172) has the molecular formula C14H19N2O+ and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanol
PubChem CID11638172
Molecular FormulaC14H19N2O+
Molecular Weight231.32 g/mol
Exact Mass231.15
IUPAC Name2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanol
SMILESCc1cc(C)c(-n2cc[n+](CCO)c2)c(C)c1
InChIInChI=1S/C14H19N2O/c1-11-8-12(2)14(13(3)9-11)16-5-4-15(10-16)6-7-17/h4-5,8-10,17H,6-7H2,1-3H3/q+1
InChIKeyDDORAZQFDKRZTH-UHFFFAOYSA-N
XLogP1.68
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Trim
CID 1359
1-Benzyl-5-hydroxymethyl-1H-imidazole
CID 2773235
6-(2-Imidazol-1-yl-vinyl)-1H-quinolin-2-one
CID 14373279
1-(4-Trifluoromethylphenyl)imidazole
CID 141198
(1-benzyl-1H-imidazol-2-yl)methanol
CID 311778
1-(2-(1H-imidazol-1-yl)phenyl)methanamine
CID 3161671
1-(2,6-Diisopropylphenyl)imidazole
CID 15879265
1-(m-Tolyl)imidazole
CID 520197
3-(1-Benzyl-1H-imidazol-5-yl)-1-propanol
CID 45103805
2-(1-isopropyl-4-{[1-(3-methylphenyl)-1H-imidazol-2-yl]methyl}piperazin-2-yl)ethanol
CID 16190263
1-(4-Phenylphenyl)imidazole
CID 677923
1H-Imidazole, 1-(2-(1-methylethyl)phenyl)-
CID 3015221

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanol?
The IUPAC name of 2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanol (CID 11638172) is 2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanol.
What is the SMILES notation for 2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanol?
The canonical SMILES for 2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanol is Cc1cc(C)c(-n2cc[n+](CCO)c2)c(C)c1.
What is the InChIKey of 2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanol?
The InChIKey is DDORAZQFDKRZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N2O/c1-11-8-12(2)14(13(3)9-11)16-5-4-15(10-16)6-7-17/h4-5,8-10,17H,6-7H2,1-3H3/q+1.
What are the key properties of 2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanol?
2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanol has a molecular weight of 231.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]ethanol is sourced from PubChem (CID 11638172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).