1-(3-methylbenzimidazol-5-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]methanimine

C19H23N3OSi — CID 90463597

IUPAC1-(3-methylbenzimidazol-5-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]methanimine
SMILESCn1cnc2ccc(/C=N/Cc3ccccc3O[Si](C)(C)C)cc21
InChIInChI=1S/C19H23N3OSi/c1-22-14-21-17-10-9-15(11-18(17)22)12-20-13-16-7-5-6-8-19(16)23-24(2,3)4/h5-12,14H,13H2,1-4H3/b20-12+
InChIKeyBFZMMWSFSARLEW-UDWIEESQSA-N
MW337.50 g/mol
LogP4.41
Rot. Bonds5

About 1-(3-methylbenzimidazol-5-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]methanimine

1-(3-methylbenzimidazol-5-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]methanimine (PubChem CID 90463597) has the molecular formula C19H23N3OSi and a molecular weight of 337.50 g/mol. Its IUPAC name is 1-(3-methylbenzimidazol-5-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]methanimine.

Molecular Properties

Compound Name1-(3-methylbenzimidazol-5-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]methanimine
PubChem CID90463597
Molecular FormulaC19H23N3OSi
Molecular Weight337.50 g/mol
Exact Mass337.16
IUPAC Name1-(3-methylbenzimidazol-5-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]methanimine
SMILESCn1cnc2ccc(/C=N/Cc3ccccc3O[Si](C)(C)C)cc21
InChIInChI=1S/C19H23N3OSi/c1-22-14-21-17-10-9-15(11-18(17)22)12-20-13-16-7-5-6-8-19(16)23-24(2,3)4/h5-12,14H,13H2,1-4H3/b20-12+
InChIKeyBFZMMWSFSARLEW-UDWIEESQSA-N
XLogP4.41
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbenzimidazol-5-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]methanimine?
The IUPAC name of 1-(3-methylbenzimidazol-5-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]methanimine (CID 90463597) is 1-(3-methylbenzimidazol-5-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]methanimine.
What is the SMILES notation for 1-(3-methylbenzimidazol-5-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]methanimine?
The canonical SMILES for 1-(3-methylbenzimidazol-5-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]methanimine is Cn1cnc2ccc(/C=N/Cc3ccccc3O[Si](C)(C)C)cc21.
What is the InChIKey of 1-(3-methylbenzimidazol-5-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]methanimine?
The InChIKey is BFZMMWSFSARLEW-UDWIEESQSA-N. The full InChI is InChI=1S/C19H23N3OSi/c1-22-14-21-17-10-9-15(11-18(17)22)12-20-13-16-7-5-6-8-19(16)23-24(2,3)4/h5-12,14H,13H2,1-4H3/b20-12+.
What are the key properties of 1-(3-methylbenzimidazol-5-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]methanimine?
1-(3-methylbenzimidazol-5-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]methanimine has a molecular weight of 337.50 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbenzimidazol-5-yl)-N-[(2-trimethylsilyloxyphenyl)methyl]methanimine is sourced from PubChem (CID 90463597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).