[4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane

C27H33N2Si+ — CID 176787499

IUPAC[4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane
SMILESCc1cc(-c2c(C)cc([Si](C)(C)C)cc2C)ccc1-c1n(C)c2ccccc2[n+]1C
InChIInChI=1S/C27H33N2Si/c1-18-15-21(26-19(2)16-22(17-20(26)3)30(6,7)8)13-14-23(18)27-28(4)24-11-9-10-12-25(24)29(27)5/h9-17H,1-8H3/q+1
InChIKeyMQVYXFXTUJBGLK-UHFFFAOYSA-N
MW413.66 g/mol
LogP5.81
Rot. Bonds3

About [4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane

[4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane (PubChem CID 176787499) has the molecular formula C27H33N2Si+ and a molecular weight of 413.66 g/mol. Its IUPAC name is [4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane
PubChem CID176787499
Molecular FormulaC27H33N2Si+
Molecular Weight413.66 g/mol
Exact Mass413.24
IUPAC Name[4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane
SMILESCc1cc(-c2c(C)cc([Si](C)(C)C)cc2C)ccc1-c1n(C)c2ccccc2[n+]1C
InChIInChI=1S/C27H33N2Si/c1-18-15-21(26-19(2)16-22(17-20(26)3)30(6,7)8)13-14-23(18)27-28(4)24-11-9-10-12-25(24)29(27)5/h9-17H,1-8H3/q+1
InChIKeyMQVYXFXTUJBGLK-UHFFFAOYSA-N
XLogP5.81
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.66
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-2-(4-methylphenyl)benzimidazol-3-ium iodide
CID 18590552
1,3-dimethyl-2-(2-methylnaphtho[2,3-b][1]benzofuran-3-yl)benzimidazol-3-ium
CID 176787861
1,3-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]benzimidazol-3-ium
CID 140920516
3-(1,3-dimethylbenzimidazol-3-ium-2-yl)-4-methylbenzonitrile
CID 176787802
1,3-dimethyl-2-(3-methylphenyl)benzimidazol-3-ium
CID 102032328
2-[4-fluoro-2-methyl-5-[4-phenyl-2,6-di(propan-2-yl)phenyl]phenyl]-1,3-dimethylbenzimidazol-3-ium
CID 176787504
2-(2,5-dimethylphenyl)-1,3,5-trimethylbenzimidazol-1-ium
CID 158178011
2-[7-(4,6-diphenylpyrimidin-2-yl)-3-methyldibenzofuran-4-yl]-1,3-dimethylbenzimidazol-3-ium
CID 176787901
1,3-dimethyl-2-(3-methylthiophen-2-yl)benzimidazol-3-ium iodide
CID 10666827
1-methyl-2-(2-methyl-4-propan-2-ylphenyl)-3-(4-phenylphenyl)benzimidazol-1-ium
CID 160701777
2-[1-tert-butyl-7-fluoro-3-methyl-6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3-dimethylbenzimidazol-3-ium
CID 171407220
1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)-3-methylbenzimidazol-3-ium
CID 169026337

Frequently Asked Questions

What is the IUPAC name of [4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane?
The IUPAC name of [4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane (CID 176787499) is [4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane.
What is the SMILES notation for [4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane?
The canonical SMILES for [4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane is Cc1cc(-c2c(C)cc([Si](C)(C)C)cc2C)ccc1-c1n(C)c2ccccc2[n+]1C.
What is the InChIKey of [4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane?
The InChIKey is MQVYXFXTUJBGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N2Si/c1-18-15-21(26-19(2)16-22(17-20(26)3)30(6,7)8)13-14-23(18)27-28(4)24-11-9-10-12-25(24)29(27)5/h9-17H,1-8H3/q+1.
What are the key properties of [4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane?
[4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane has a molecular weight of 413.66 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1,3-dimethylbenzimidazol-3-ium-2-yl)-3-methylphenyl]-3,5-dimethylphenyl]-trimethylsilane is sourced from PubChem (CID 176787499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).