2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile

C20H31N5O2Si — CID 156708035

IUPAC2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
SMILESCOc1nc2c(N3CCN(C)CC3)cc(C#N)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C20H31N5O2Si/c1-23-6-8-24(9-7-23)17-12-16(14-21)13-18-19(17)22-20(26-2)25(18)15-27-10-11-28(3,4)5/h12-13H,6-11,15H2,1-5H3
InChIKeyVBLFMOOWZIQTNA-UHFFFAOYSA-N
MW401.59 g/mol
LogP2.98
Rot. Bonds7

About 2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile

2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile (PubChem CID 156708035) has the molecular formula C20H31N5O2Si and a molecular weight of 401.59 g/mol. Its IUPAC name is 2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
PubChem CID156708035
Molecular FormulaC20H31N5O2Si
Molecular Weight401.59 g/mol
Exact Mass401.22
IUPAC Name2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
SMILESCOc1nc2c(N3CCN(C)CC3)cc(C#N)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C20H31N5O2Si/c1-23-6-8-24(9-7-23)17-12-16(14-21)13-18-19(17)22-20(26-2)25(18)15-27-10-11-28(3,4)5/h12-13H,6-11,15H2,1-5H3
InChIKeyVBLFMOOWZIQTNA-UHFFFAOYSA-N
XLogP2.98
TPSA66.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.59
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile 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-[(4,5-dibromo-2-methoxyimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156708294
5-[(1-methylpiperidin-4-yl)amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carbonitrile
CID 177245930
4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile
CID 46895438
1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 58243790
13-piperidin-1-yl-8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
CID 58365210
2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
CID 140748572
trimethyl-[2-[[2-methyl-5-[7-[2-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-1,1-dioxo-1,2,7-thiadiazepan-2-yl]benzimidazol-1-yl]methoxy]ethyl]silane
CID 59539148
5-amino-4-methoxy-2-(4-methylpiperazin-1-yl)benzonitrile
CID 166710917
2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile
CID 19778352
3-(trifluoromethyl)-5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzonitrile
CID 172989981
2-[dimethylamino-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
CID 90057383
3-bromo-5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzonitrile
CID 172990853

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile (CID 156708035) is 2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile is COc1nc2c(N3CCN(C)CC3)cc(C#N)cc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile?
The InChIKey is VBLFMOOWZIQTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2Si/c1-23-6-8-24(9-7-23)17-12-16(14-21)13-18-19(17)22-20(26-2)25(18)15-27-10-11-28(3,4)5/h12-13H,6-11,15H2,1-5H3.
What are the key properties of 2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile?
2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile has a molecular weight of 401.59 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-(4-methylpiperazin-1-yl)-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 156708035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).