2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium

C13H19N2O2+ — CID 141358533

IUPAC2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium
SMILESCOCCc1[nH]c2ccccc2[n+]1CCOC
InChIInChI=1S/C13H18N2O2/c1-16-9-7-13-14-11-5-3-4-6-12(11)15(13)8-10-17-2/h3-6H,7-10H2,1-2H3/p+1
InChIKeyLEUXXPUKSVHGAF-UHFFFAOYSA-O
MW235.31 g/mol
LogP1.29
Rot. Bonds6

About 2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium

2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium (PubChem CID 141358533) has the molecular formula C13H19N2O2+ and a molecular weight of 235.31 g/mol. Its IUPAC name is 2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium.

Molecular Properties

Compound Name2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium
PubChem CID141358533
Molecular FormulaC13H19N2O2+
Molecular Weight235.31 g/mol
Exact Mass235.14
IUPAC Name2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium
SMILESCOCCc1[nH]c2ccccc2[n+]1CCOC
InChIInChI=1S/C13H18N2O2/c1-16-9-7-13-14-11-5-3-4-6-12(11)15(13)8-10-17-2/h3-6H,7-10H2,1-2H3/p+1
InChIKeyLEUXXPUKSVHGAF-UHFFFAOYSA-O
XLogP1.29
TPSA38.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-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

2,3-dipropyl-1H-benzimidazol-3-ium
CID 4747060
2,3-dibutyl-1H-benzimidazol-3-ium
CID 2150343
3-heptadecyl-2-octadecyl-1H-benzimidazol-3-ium
CID 156853108
3-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-1H-benzimidazol-3-ium
CID 5212215
2-(methoxymethyl)-3-[(4-methylphenyl)methyl]-1H-benzimidazol-3-ium
CID 4747111
3-[2-(4-chlorophenoxy)ethyl]-2-methyl-1H-benzimidazol-3-ium
CID 3339744
2-ethyl-3-(2-methylpropyl)-1H-benzimidazol-3-ium
CID 4746489
2-benzyl-3-ethyl-1H-benzimidazol-3-ium
CID 5212217
3-(3-methylbutyl)-2-[(4-methylphenoxy)methyl]-1H-benzimidazol-3-ium
CID 4105712
[3-(2-methylpropyl)-1H-benzimidazol-3-ium-2-yl]methanol
CID 4066513
2-ethyl-3-prop-2-enyl-1H-benzimidazol-3-ium
CID 3606366
1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium
CID 58173165

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium?
The IUPAC name of 2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium (CID 141358533) is 2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium.
What is the SMILES notation for 2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium?
The canonical SMILES for 2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium is COCCc1[nH]c2ccccc2[n+]1CCOC.
What is the InChIKey of 2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium?
The InChIKey is LEUXXPUKSVHGAF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18N2O2/c1-16-9-7-13-14-11-5-3-4-6-12(11)15(13)8-10-17-2/h3-6H,7-10H2,1-2H3/p+1.
What are the key properties of 2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium?
2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium has a molecular weight of 235.31 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium is sourced from PubChem (CID 141358533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).