1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium

C19H21N2O+ — CID 20806995

IUPAC1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium
SMILESCc1c(C)[n+](Cc2ccccc2)cn1OCc1ccccc1
InChIInChI=1S/C19H21N2O/c1-16-17(2)21(22-14-19-11-7-4-8-12-19)15-20(16)13-18-9-5-3-6-10-18/h3-12,15H,13-14H2,1-2H3/q+1
InChIKeySTNOMJIIWKPCSB-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.07
Rot. Bonds5

About 1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium

1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium (PubChem CID 20806995) has the molecular formula C19H21N2O+ and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium.

Molecular Properties

Compound Name1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium
PubChem CID20806995
Molecular FormulaC19H21N2O+
Molecular Weight293.39 g/mol
Exact Mass293.16
IUPAC Name1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium
SMILESCc1c(C)[n+](Cc2ccccc2)cn1OCc1ccccc1
InChIInChI=1S/C19H21N2O/c1-16-17(2)21(22-14-19-11-7-4-8-12-19)15-20(16)13-18-9-5-3-6-10-18/h3-12,15H,13-14H2,1-2H3/q+1
InChIKeySTNOMJIIWKPCSB-UHFFFAOYSA-N
XLogP3.07
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium 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-chloro-4-methyl-1-phenylmethoxyimidazole
CID 10867903
1-benzyl-2-methylpyridin-1-ium;hydroiodide
CID 126958075
3,5-dimethyl-1-phenylmethoxypyrazole-4-carboxylic acid;ethane
CID 143284338
3-fluoro-1-phenylmethoxypyrimidine-2,4-dione
CID 54119422
(4-methyl-1-phenylmethoxypyrazol-5-yl)methanol
CID 10965992
2-iodo-1-phenylmethoxyimidazole
CID 5325030
1-benzyl-5-methoxy-2-methylpyridin-1-ium
CID 100989796
ethane;phenylmethoxymethylbenzene
CID 90943549
1-benzyl-3-methyl-4,5-dihydroimidazol-3-ium
CID 22044317
1-phenylmethoxy-1,2,4-triazolidine
CID 174937405
[dimethyl(phenylmethoxy)silyl]-dimethyl-phenylmethoxysilane
CID 122390152
4-ethyl-1-phenylmethoxypyrazole
CID 119082094

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium?
The IUPAC name of 1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium (CID 20806995) is 1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium.
What is the SMILES notation for 1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium?
The canonical SMILES for 1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium is Cc1c(C)[n+](Cc2ccccc2)cn1OCc1ccccc1.
What is the InChIKey of 1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium?
The InChIKey is STNOMJIIWKPCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2O/c1-16-17(2)21(22-14-19-11-7-4-8-12-19)15-20(16)13-18-9-5-3-6-10-18/h3-12,15H,13-14H2,1-2H3/q+1.
What are the key properties of 1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium?
1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium has a molecular weight of 293.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5-dimethyl-3-phenylmethoxyimidazol-1-ium is sourced from PubChem (CID 20806995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).