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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Related Compounds

trimethyl-[2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 150281377
5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide
CID 140814417
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 140827014
2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide
CID 160996950
1-[[2-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]-4-chloro-7-(trifluoromethyl)quinazolin-2-one
CID 162388305
7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine
CID 155742443
1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326
(2S)-3-[2-carbamoyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170607207
2-[(4-ethynyl-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58765592
2-[[2-(3-bromophenyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 22969432
trimethyl-[2-[(2-methyl-4-nitroimidazol-1-yl)methoxy]ethyl]silane
CID 168974471
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 71258387

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).