5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol

C22H27N2O+ — CID 177430023

IUPAC5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol
SMILESCc1cc(C)c(-n2c[n+](-c3c(C)cc(C)cc3C)c(O)c2C)c(C)c1
InChIInChI=1S/C22H26N2O/c1-13-8-15(3)20(16(4)9-13)23-12-24(22(25)19(23)7)21-17(5)10-14(2)11-18(21)6/h8-12H,1-7H3/p+1
InChIKeyPPIZBMBZGGEEAM-UHFFFAOYSA-O
MW335.47 g/mol
LogP4.62
Rot. Bonds2

About 5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol

5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol (PubChem CID 177430023) has the molecular formula C22H27N2O+ and a molecular weight of 335.47 g/mol. Its IUPAC name is 5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol.

Molecular Properties

Compound Name5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol
PubChem CID177430023
Molecular FormulaC22H27N2O+
Molecular Weight335.47 g/mol
Exact Mass335.21
IUPAC Name5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol
SMILESCc1cc(C)c(-n2c[n+](-c3c(C)cc(C)cc3C)c(O)c2C)c(C)c1
InChIInChI=1S/C22H26N2O/c1-13-8-15(3)20(16(4)9-13)23-12-24(22(25)19(23)7)21-17(5)10-14(2)11-18(21)6/h8-12H,1-7H3/p+1
InChIKeyPPIZBMBZGGEEAM-UHFFFAOYSA-O
XLogP4.62
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iodo-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium bromide
CID 156773599
[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]phosphane
CID 102349812
1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydrobenzo[e]benzimidazol-1-ium bromide
CID 25223242
[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]-diethoxyphosphane
CID 102453560
[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]methanedithiolate;carbon monoxide;dichloromethane;rhenium
CID 139169546
4-[(2-methylpropan-2-yl)oxy]-1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium
CID 102041303
[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-4-yl]-propan-2-ylazanide
CID 134837445
ethyl 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-4-carboxylate
CID 132511970
1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone
CID 122228843
4,5-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaphosphol-1-ium
CID 101484160
2-methoxyethyl 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-4-carboxylate
CID 132511975
[1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl]methyl-dicyclohexylphosphane
CID 102259929

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol?
The IUPAC name of 5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol (CID 177430023) is 5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol.
What is the SMILES notation for 5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol?
The canonical SMILES for 5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol is Cc1cc(C)c(-n2c[n+](-c3c(C)cc(C)cc3C)c(O)c2C)c(C)c1.
What is the InChIKey of 5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol?
The InChIKey is PPIZBMBZGGEEAM-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N2O/c1-13-8-15(3)20(16(4)9-13)23-12-24(22(25)19(23)7)21-17(5)10-14(2)11-18(21)6/h8-12H,1-7H3/p+1.
What are the key properties of 5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol?
5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol has a molecular weight of 335.47 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-ol is sourced from PubChem (CID 177430023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).