2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium

C18H21N2+ — CID 158178011

IUPAC2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium
SMILESCc1ccc(C)c(-c2n(C)c3cc(C)ccc3[n+]2C)c1
InChIInChI=1S/C18H21N2/c1-12-6-8-14(3)15(10-12)18-19(4)16-9-7-13(2)11-17(16)20(18)5/h6-11H,1-5H3/q+1
InChIKeyBWSCOGGCSKRORX-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.60
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium

2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium (PubChem CID 158178011) has the molecular formula C18H21N2+ and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium
PubChem CID158178011
Molecular FormulaC18H21N2+
Molecular Weight265.38 g/mol
Exact Mass265.17
IUPAC Name2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium
SMILESCc1ccc(C)c(-c2n(C)c3cc(C)ccc3[n+]2C)c1
InChIInChI=1S/C18H21N2/c1-12-6-8-14(3)15(10-12)18-19(4)16-9-7-13(2)11-17(16)20(18)5/h6-11H,1-5H3/q+1
InChIKeyBWSCOGGCSKRORX-UHFFFAOYSA-N
XLogP3.60
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium?
The IUPAC name of 2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium (CID 158178011) is 2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium is Cc1ccc(C)c(-c2n(C)c3cc(C)ccc3[n+]2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium?
The InChIKey is BWSCOGGCSKRORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N2/c1-12-6-8-14(3)15(10-12)18-19(4)16-9-7-13(2)11-17(16)20(18)5/h6-11H,1-5H3/q+1.
What are the key properties of 2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium?
2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium has a molecular weight of 265.38 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium is sourced from PubChem (CID 158178011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).