2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile

C24H32N4O2Si — CID 140748572

IUPAC2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
SMILESCOc1cc(C)cc(C)c1C(N)c1nc2cc(C#N)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C24H32N4O2Si/c1-16-11-17(2)22(21(12-16)29-3)23(26)24-27-19-13-18(14-25)7-8-20(19)28(24)15-30-9-10-31(4,5)6/h7-8,11-13,23H,9-10,15,26H2,1-6H3
InChIKeyKWMINQZQWGZAKM-UHFFFAOYSA-N
MW436.63 g/mol
LogP4.89
Rot. Bonds8

About 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile

2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile (PubChem CID 140748572) has the molecular formula C24H32N4O2Si and a molecular weight of 436.63 g/mol. Its IUPAC name is 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
PubChem CID140748572
Molecular FormulaC24H32N4O2Si
Molecular Weight436.63 g/mol
Exact Mass436.23
IUPAC Name2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
SMILESCOc1cc(C)cc(C)c1C(N)c1nc2cc(C#N)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C24H32N4O2Si/c1-16-11-17(2)22(21(12-16)29-3)23(26)24-27-19-13-18(14-25)7-8-20(19)28(24)15-30-9-10-31(4,5)6/h7-8,11-13,23H,9-10,15,26H2,1-6H3
InChIKeyKWMINQZQWGZAKM-UHFFFAOYSA-N
XLogP4.89
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.63
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[1-[5-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3-methoxy-2-methyl-3-oxopropyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[1-[6-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-3-methoxy-2-methyl-3-oxopropyl]-5-methoxy-7-methylindole-1-carboxylate
CID 158911053
2-[dimethylamino-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
CID 90057383
N-[[5-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-[5,7-dimethyl-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]-2,2,2-trifluoro-N-methylacetamide;N-[[6-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-[5,7-dimethyl-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 158180178
methyl 4-[5-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-4-[5-methoxy-7-methyl-1-(2-trimethylsilylethoxymethyl)indol-4-yl]pentanoate
CID 86701776
N-[1-[5-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 90057375
tert-butyl 4-[1-[5-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2,2,2-trifluoro-1-methoxyethyl]-5-methoxy-7-methylindole-1-carboxylate
CID 86701503
N-[[6-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-[5,7-dimethyl-1-(4-methylphenyl)sulfonylindol-4-yl]methyl]methanesulfonamide
CID 86701639
2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;2-[[5-ethyl-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenylindol-4-yl]-hydroxymethyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
CID 162025136
ethyl 2-[1-[5-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2,2,2-trifluoro-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethoxy]acetate
CID 90057038
tert-butyl 4-[[6-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-hydroxymethyl]-5-(difluoromethoxy)-7-methylindole-1-carboxylate
CID 86701445
tert-butyl 4-[1-tert-butylsulfinyl-2-[5-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-2-yl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[1-tert-butylsulfinyl-2-[6-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]propan-2-yl]-5-methoxy-7-methylindole-1-carboxylate
CID 157325689
tert-butyl 4-[1-[5-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2,2,2-trifluoro-1-(2-methoxy-2-oxoethoxy)ethyl]-5-methoxy-7-methylindole-1-carboxylate;tert-butyl 4-[1-[6-cyano-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-2,2,2-trifluoro-1-(2-methoxy-2-oxoethoxy)ethyl]-5-methoxy-7-methylindole-1-carboxylate
CID 158788982

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile (CID 140748572) is 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile is COc1cc(C)cc(C)c1C(N)c1nc2cc(C#N)ccc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile?
The InChIKey is KWMINQZQWGZAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2Si/c1-16-11-17(2)22(21(12-16)29-3)23(26)24-27-19-13-18(14-25)7-8-20(19)28(24)15-30-9-10-31(4,5)6/h7-8,11-13,23H,9-10,15,26H2,1-6H3.
What are the key properties of 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile?
2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile has a molecular weight of 436.63 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 140748572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).