3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium

C27H25N2+ — CID 140708142

IUPAC3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium
SMILESCc1ccccc1-c1n(-c2c(C)cccc2C)c2ccc3ccccc3c2[n+]1C
InChIInChI=1S/C27H25N2/c1-18-10-5-7-14-22(18)27-28(4)26-23-15-8-6-13-21(23)16-17-24(26)29(27)25-19(2)11-9-12-20(25)3/h5-17H,1-4H3/q+1
InChIKeySVAGZVABMYCCGN-UHFFFAOYSA-N
MW377.51 g/mol
LogP6.20
Rot. Bonds2

About 3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium

3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium (PubChem CID 140708142) has the molecular formula C27H25N2+ and a molecular weight of 377.51 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium
PubChem CID140708142
Molecular FormulaC27H25N2+
Molecular Weight377.51 g/mol
Exact Mass377.20
IUPAC Name3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium
SMILESCc1ccccc1-c1n(-c2c(C)cccc2C)c2ccc3ccccc3c2[n+]1C
InChIInChI=1S/C27H25N2/c1-18-10-5-7-14-22(18)27-28(4)26-23-15-8-6-13-21(23)16-17-24(26)29(27)25-19(2)11-9-12-20(25)3/h5-17H,1-4H3/q+1
InChIKeySVAGZVABMYCCGN-UHFFFAOYSA-N
XLogP6.20
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-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

1-methyl-2-(2-methylphenyl)-3-(2,4,6-trimethylphenyl)-6H-indeno[1,2-e]benzimidazol-1-ium
CID 160742656
1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzimidazol-1-ium
CID 158788712
1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole
CID 144605644
1-(2-methylphenyl)picene
CID 173138076
1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane
CID 144605643
1-(2,6-dimethylphenyl)-2-(4,5-dimethyl-3-pyridinyl)-3-methylbenzimidazol-3-ium
CID 140847283
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
3-methyl-4-(2-methylphenyl)phenanthrene
CID 145272616
9-[3-(2-methylphenyl)phenyl]-7-phenylbenzo[c]carbazole
CID 90175676
ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene
CID 91083814
1-methyl-2-(2-methylphenyl)-3-[2-phenyl-4,6-bis(trideuteriomethyl)pyrimidin-5-yl]benzimidazol-1-ium
CID 157185335
3-methyl-2-(2-methylphenyl)-1,5-diphenylbenzimidazol-3-ium
CID 161260504

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium?
The IUPAC name of 3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium (CID 140708142) is 3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium?
The canonical SMILES for 3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium is Cc1ccccc1-c1n(-c2c(C)cccc2C)c2ccc3ccccc3c2[n+]1C.
What is the InChIKey of 3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium?
The InChIKey is SVAGZVABMYCCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N2/c1-18-10-5-7-14-22(18)27-28(4)26-23-15-8-6-13-21(23)16-17-24(26)29(27)25-19(2)11-9-12-20(25)3/h5-17H,1-4H3/q+1.
What are the key properties of 3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium?
3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium has a molecular weight of 377.51 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium is sourced from PubChem (CID 140708142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).