2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide

C19H27F3N4O2Si — CID 162388348

IUPAC2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide
SMILESCc1nc(CNc2cc(C(F)(F)F)ccc2C(N)=O)cn1COCC[Si](C)(C)C
InChIInChI=1S/C19H27F3N4O2Si/c1-13-25-15(11-26(13)12-28-7-8-29(2,3)4)10-24-17-9-14(19(20,21)22)5-6-16(17)18(23)27/h5-6,9,11,24H,7-8,10,12H2,1-4H3,(H2,23,27)
InChIKeyXLQLRKABDOKWMY-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.23
Rot. Bonds9

About 2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide

2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide (PubChem CID 162388348) has the molecular formula C19H27F3N4O2Si and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide
PubChem CID162388348
Molecular FormulaC19H27F3N4O2Si
Molecular Weight428.53 g/mol
Exact Mass428.19
IUPAC Name2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide
SMILESCc1nc(CNc2cc(C(F)(F)F)ccc2C(N)=O)cn1COCC[Si](C)(C)C
InChIInChI=1S/C19H27F3N4O2Si/c1-13-25-15(11-26(13)12-28-7-8-29(2,3)4)10-24-17-9-14(19(20,21)22)5-6-16(17)18(23)27/h5-6,9,11,24H,7-8,10,12H2,1-4H3,(H2,23,27)
InChIKeyXLQLRKABDOKWMY-UHFFFAOYSA-N
XLogP4.23
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide (CID 162388348) is 2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide is Cc1nc(CNc2cc(C(F)(F)F)ccc2C(N)=O)cn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide?
The InChIKey is XLQLRKABDOKWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O2Si/c1-13-25-15(11-26(13)12-28-7-8-29(2,3)4)10-24-17-9-14(19(20,21)22)5-6-16(17)18(23)27/h5-6,9,11,24H,7-8,10,12H2,1-4H3,(H2,23,27).
What are the key properties of 2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide?
2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide has a molecular weight of 428.53 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methylamino]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 162388348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).