trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane

C28H37F3N4O2Si — CID 123383767

IUPACtrimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESCc1ccnc(OCC2CCC(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)c1
InChIInChI=1S/C28H37F3N4O2Si/c1-20-11-12-32-26(15-20)37-18-21-5-7-22(8-6-21)24-10-9-23(16-33-24)27-34-25(28(29,30)31)17-35(27)19-36-13-14-38(2,3)4/h9-12,15-17,21-22H,5-8,13-14,18-19H2,1-4H3
InChIKeyFMHZRLNUDSZFAD-UHFFFAOYSA-N
MW546.71 g/mol
LogP7.33
Rot. Bonds10

About trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 123383767) has the molecular formula C28H37F3N4O2Si and a molecular weight of 546.71 g/mol. Its IUPAC name is trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
PubChem CID123383767
Molecular FormulaC28H37F3N4O2Si
Molecular Weight546.71 g/mol
Exact Mass546.26
IUPAC Nametrimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESCc1ccnc(OCC2CCC(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)c1
InChIInChI=1S/C28H37F3N4O2Si/c1-20-11-12-32-26(15-20)37-18-21-5-7-22(8-6-21)24-10-9-23(16-33-24)27-34-25(28(29,30)31)17-35(27)19-36-13-14-38(2,3)4/h9-12,15-17,21-22H,5-8,13-14,18-19H2,1-4H3
InChIKeyFMHZRLNUDSZFAD-UHFFFAOYSA-N
XLogP7.33
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (CID 123383767) is trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is Cc1ccnc(OCC2CCC(c3ccc(-c4nc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)c1.
What is the InChIKey of trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is FMHZRLNUDSZFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F3N4O2Si/c1-20-11-12-32-26(15-20)37-18-21-5-7-22(8-6-21)24-10-9-23(16-33-24)27-34-25(28(29,30)31)17-35(27)19-36-13-14-38(2,3)4/h9-12,15-17,21-22H,5-8,13-14,18-19H2,1-4H3.
What are the key properties of trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 546.71 g/mol, XLogP of 7.33, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[2-[6-[4-[(4-methyl-2-pyridinyl)oxymethyl]cyclohexyl]-3-pyridinyl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 123383767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).