5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-3-amine

C21H25F3N4OSi — CID 22969463

IUPAC5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-3-amine
SMILESC[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cncc(N)c1
InChIInChI=1S/C21H25F3N4OSi/c1-30(2,3)8-7-29-14-28-13-19(15-5-4-6-17(9-15)21(22,23)24)27-20(28)16-10-18(25)12-26-11-16/h4-6,9-13H,7-8,14,25H2,1-3H3
InChIKeyRCBQHIXAIJIQQR-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.53
Rot. Bonds7

About 5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-3-amine

5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-3-amine (PubChem CID 22969463) has the molecular formula C21H25F3N4OSi and a molecular weight of 434.54 g/mol. Its IUPAC name is 5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-3-amine
PubChem CID22969463
Molecular FormulaC21H25F3N4OSi
Molecular Weight434.54 g/mol
Exact Mass434.17
IUPAC Name5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-3-amine
SMILESC[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cncc(N)c1
InChIInChI=1S/C21H25F3N4OSi/c1-30(2,3)8-7-29-14-28-13-19(15-5-4-6-17(9-15)21(22,23)24)27-20(28)16-10-18(25)12-26-11-16/h4-6,9-13H,7-8,14,25H2,1-3H3
InChIKeyRCBQHIXAIJIQQR-UHFFFAOYSA-N
XLogP5.53
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.53
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'}

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Related Compounds

L-790070
CID 9806182
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
SB-242235
CID 9863367
2,4-Disubstituted Pyrimidine 3a
CID 5329426
2,4-Disubstituted Pyrimidine 5h
CID 5329443
4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
SB-210313
CID 9885504
{4-[3-Methyl-2-piperidin-4-yl-5-(3-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-pyrimidin-2-yl}-((R)-1-phenyl-ethyl)-amine
CID 656907
N-(3-imidazol-1-ylpropyl)-2-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 4581419
4-[2-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]ethyl]morpholine
CID 9819884
N-(3,5-dimethylphenyl)-4-(4-methyl-2-phenylimidazol-1-yl)pyrimidin-2-amine
CID 9968566
N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine
CID 10043599

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-3-amine?
The IUPAC name of 5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-3-amine (CID 22969463) is 5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-3-amine.
What is the SMILES notation for 5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-3-amine?
The canonical SMILES for 5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-3-amine is C[Si](C)(C)CCOCn1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cncc(N)c1.
What is the InChIKey of 5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-3-amine?
The InChIKey is RCBQHIXAIJIQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4OSi/c1-30(2,3)8-7-29-14-28-13-19(15-5-4-6-17(9-15)21(22,23)24)27-20(28)16-10-18(25)12-26-11-16/h4-6,9-13H,7-8,14,25H2,1-3H3.
What are the key properties of 5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-3-amine?
5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-3-amine has a molecular weight of 434.54 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyridin-3-amine is sourced from PubChem (CID 22969463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).