[4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol

C91H153F3N10O11Si3 — CID 158341901

IUPAC[4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol
SMILESC.C.C.CO.Cc1cc(-c2cn(CCN3CCC3)c(C3(O[Si](C)(C)C(C)(C)C)CCNCC3)n2)ccc1F.Cc1cc(-c2cn(CCO)c(C3(O[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F.Cc1cc(-c2cn(CCOC3CCCCO3)c(C3(O[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F
InChIInChI=1S/C33H52FN3O5Si.C28H44FN3O4Si.C26H41FN4OSi.CH4O.3CH4/c1-24-22-25(13-14-26(24)34)27-23-37(19-21-40-28-12-10-11-20-39-28)29(35-27)33(42-43(8,9)32(5,6)7)15-17-36(18-16-33)30(38)41-31(2,3)4;1-20-18-21(10-11-22(20)29)23-19-32(16-17-33)24(30-23)28(36-37(8,9)27(5,6)7)12-14-31(15-13-28)25(34)35-26(2,3)4;1-20-18-21(8-9-22(20)27)23-19-31(17-16-30-14-7-15-30)24(29-23)26(10-12-28-13-11-26)32-33(5,6)25(2,3)4;1-2;;;/h13-14,22-23,28H,10-12,15-21H2,1-9H3;10-11,18-19,33H,12-17H2,1-9H3;8-9,18-19,28H,7,10-17H2,1-6H3;2H,1H3;3*1H4
InChIKeyGRGNNDYEXPCCSU-UHFFFAOYSA-N
MW1704.54 g/mol
LogP20.85
Rot. Bonds21

About [4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol

[4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol (PubChem CID 158341901) has the molecular formula C91H153F3N10O11Si3 and a molecular weight of 1704.54 g/mol. Its IUPAC name is [4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol.

Molecular Properties

Compound Name[4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol
PubChem CID158341901
Molecular FormulaC91H153F3N10O11Si3
Molecular Weight1704.54 g/mol
Exact Mass1703.10
IUPAC Name[4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol
SMILESC.C.C.CO.Cc1cc(-c2cn(CCN3CCC3)c(C3(O[Si](C)(C)C(C)(C)C)CCNCC3)n2)ccc1F.Cc1cc(-c2cn(CCO)c(C3(O[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F.Cc1cc(-c2cn(CCOC3CCCCO3)c(C3(O[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F
InChIInChI=1S/C33H52FN3O5Si.C28H44FN3O4Si.C26H41FN4OSi.CH4O.3CH4/c1-24-22-25(13-14-26(24)34)27-23-37(19-21-40-28-12-10-11-20-39-28)29(35-27)33(42-43(8,9)32(5,6)7)15-17-36(18-16-33)30(38)41-31(2,3)4;1-20-18-21(10-11-22(20)29)23-19-32(16-17-33)24(30-23)28(36-37(8,9)27(5,6)7)12-14-31(15-13-28)25(34)35-26(2,3)4;1-20-18-21(8-9-22(20)27)23-19-31(17-16-30-14-7-15-30)24(29-23)26(10-12-28-13-11-26)32-33(5,6)25(2,3)4;1-2;;;/h13-14,22-23,28H,10-12,15-21H2,1-9H3;10-11,18-19,33H,12-17H2,1-9H3;8-9,18-19,28H,7,10-17H2,1-6H3;2H,1H3;3*1H4
InChIKeyGRGNNDYEXPCCSU-UHFFFAOYSA-N
XLogP20.85
TPSA214.42 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001704.54
LogP ≤ 520.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze [4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol with MolForge

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Related Compounds

tert-butyl 3-fluoro-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate
CID 90424254
tert-butyl (3S,4R)-4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]-3-fluoropiperidine-1-carboxylate
CID 90424480
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 131745611
tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxylate
CID 67265131
tert-butyl 4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]imidazol-2-yl]piperidine-1-carboxylate
CID 67264895
tert-butyl 4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 67264844
tert-butyl 4-[1-[2-(azetidin-1-yl)ethyl]-4-bromoimidazol-2-yl]piperidine-1-carboxylate
CID 89442949
9-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-8-methyl-5,6,7,8-tetrahydro-4H-1,3-diazonine
CID 131994265
tert-butyl 4-[1-[(1-benzylpiperidin-2-yl)methyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidine-1-carboxylate
CID 59322446
9-[2-methyl-1-[2-(oxan-2-yloxy)ethyl]imidazol-4-yl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 58204593
tert-butyl 4-[4-iodo-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 67112018
tert-butyl 4-(4-fluoro-3-methylphenyl)-1,4-diazepane-1-carboxylate
CID 69363112

Frequently Asked Questions

What is the IUPAC name of [4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol?
The IUPAC name of [4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol (CID 158341901) is [4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol.
What is the SMILES notation for [4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol?
The canonical SMILES for [4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol is C.C.C.CO.Cc1cc(-c2cn(CCN3CCC3)c(C3(O[Si](C)(C)C(C)(C)C)CCNCC3)n2)ccc1F.Cc1cc(-c2cn(CCO)c(C3(O[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F.Cc1cc(-c2cn(CCOC3CCCCO3)c(C3(O[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC3)n2)ccc1F.
What is the InChIKey of [4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol?
The InChIKey is GRGNNDYEXPCCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52FN3O5Si.C28H44FN3O4Si.C26H41FN4OSi.CH4O.3CH4/c1-24-22-25(13-14-26(24)34)27-23-37(19-21-40-28-12-10-11-20-39-28)29(35-27)33(42-43(8,9)32(5,6)7)15-17-36(18-16-33)30(38)41-31(2,3)4;1-20-18-21(10-11-22(20)29)23-19-32(16-17-33)24(30-23)28(36-37(8,9)27(5,6)7)12-14-31(15-13-28)25(34)35-26(2,3)4;1-20-18-21(8-9-22(20)27)23-19-31(17-16-30-14-7-15-30)24(29-23)26(10-12-28-13-11-26)32-33(5,6)25(2,3)4;1-2;;;/h13-14,22-23,28H,10-12,15-21H2,1-9H3;10-11,18-19,33H,12-17H2,1-9H3;8-9,18-19,28H,7,10-17H2,1-6H3;2H,1H3;3*1H4.
What are the key properties of [4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol?
[4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol has a molecular weight of 1704.54 g/mol, XLogP of 20.85, 21 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[2-(azetidin-1-yl)ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-(2-hydroxyethyl)imidazol-2-yl]piperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-4-[4-(4-fluoro-3-methylphenyl)-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]piperidine-1-carboxylate;methane;methanol is sourced from PubChem (CID 158341901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).