N-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline

C19H25N3O2Si — CID 154287838

IUPACN-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline
SMILESC[Si](C)(C)CCOCn1c(ONc2ccccc2)nc2ccccc21
InChIInChI=1S/C19H25N3O2Si/c1-25(2,3)14-13-23-15-22-18-12-8-7-11-17(18)20-19(22)24-21-16-9-5-4-6-10-16/h4-12,21H,13-15H2,1-3H3
InChIKeyZEANTEUJIPMLMD-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.75
Rot. Bonds8

About N-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline

N-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline (PubChem CID 154287838) has the molecular formula C19H25N3O2Si and a molecular weight of 355.51 g/mol. Its IUPAC name is N-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline.

Molecular Properties

Compound NameN-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline
PubChem CID154287838
Molecular FormulaC19H25N3O2Si
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline
SMILESC[Si](C)(C)CCOCn1c(ONc2ccccc2)nc2ccccc21
InChIInChI=1S/C19H25N3O2Si/c1-25(2,3)14-13-23-15-22-18-12-8-7-11-17(18)20-19(22)24-21-16-9-5-4-6-10-16/h4-12,21H,13-15H2,1-3H3
InChIKeyZEANTEUJIPMLMD-UHFFFAOYSA-N
XLogP4.75
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-[(2-morpholin-4-ylbenzimidazol-1-yl)methoxy]ethyl]silane
CID 156708125
7-methyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-1H-imidazo[4,5-b]pyridin-2-one
CID 58577646
N-(cyclopropylmethyl)-N-[2-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]ethyl]propan-1-amine
CID 69148848
hydroxy-dimethyl-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]silane
CID 24807131
trimethyl-[2-[[1-oxido-3-(2-trimethylsilylethoxymethyl)benzimidazol-1-ium-2-yl]methoxy]ethyl]silane
CID 175440411
2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
1-ethyl-3-[4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyphenyl]-3a,4-dihydroimidazo[4,5-b]pyridin-2-one
CID 67127993
2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 70196598
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
trimethyl-[2-phenyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]silane
CID 14924368
1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine
CID 751751
2-[5-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyacetic acid
CID 67338630

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline?
The IUPAC name of N-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline (CID 154287838) is N-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline.
What is the SMILES notation for N-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline?
The canonical SMILES for N-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline is C[Si](C)(C)CCOCn1c(ONc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline?
The InChIKey is ZEANTEUJIPMLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2Si/c1-25(2,3)14-13-23-15-22-18-12-8-7-11-17(18)20-19(22)24-21-16-9-5-4-6-10-16/h4-12,21H,13-15H2,1-3H3.
What are the key properties of N-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline?
N-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline has a molecular weight of 355.51 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]oxyaniline is sourced from PubChem (CID 154287838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).