13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one

C130H145F9N8O11 — CID 159846639

IUPAC13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one
SMILESCCCOCCOCCOCCCC(=O)c1ccc(Cn2c(-c3cc(C)cc(C(F)(F)F)c3)nc(-c3ccc(C)cc3)c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2c(-c3ccc(C)cc3)nc(-c3cc(C)cc(C(F)(F)F)c3)n2Cc2ccc(C(=O)CCCCCCCCCCCCN)cc2)cc1.COc1ccc(-c2c(-c3ccc(C)cc3)nc(-c3cc(C)cc(C(F)(F)F)c3)n2Cc2ccc(C(=O)CCCCOCCOCCCN)cc2)cc1
InChIInChI=1S/C45H52F3N3O2.C43H47F3N2O5.C42H46F3N3O4/c1-32-15-19-36(20-16-32)42-43(37-23-25-40(53-3)26-24-37)51(44(50-42)38-28-33(2)29-39(30-38)45(46,47)48)31-34-17-21-35(22-18-34)41(52)14-12-10-8-6-4-5-7-9-11-13-27-49;1-5-20-51-22-24-53-25-23-52-21-6-7-39(49)33-14-10-32(11-15-33)29-48-41(35-16-18-38(50-4)19-17-35)40(34-12-8-30(2)9-13-34)47-42(48)36-26-31(3)27-37(28-36)43(44,45)46;1-29-8-12-33(13-9-29)39-40(34-16-18-37(50-3)19-17-34)48(41(47-39)35-25-30(2)26-36(27-35)42(43,44)45)28-31-10-14-32(15-11-31)38(49)7-4-5-21-51-23-24-52-22-6-20-46/h15-26,28-30H,4-14,27,31,49H2,1-3H3;8-19,26-28H,5-7,20-25,29H2,1-4H3;8-19,25-27H,4-7,20-24,28,46H2,1-3H3
InChIKeyNPJWTKOKOOXHGQ-UHFFFAOYSA-N
MW2166.62 g/mol
LogP31.32
Rot. Bonds56

About 13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one

13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one (PubChem CID 159846639) has the molecular formula C130H145F9N8O11 and a molecular weight of 2166.62 g/mol. Its IUPAC name is 13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one.

Molecular Properties

Compound Name13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one
PubChem CID159846639
Molecular FormulaC130H145F9N8O11
Molecular Weight2166.62 g/mol
Exact Mass2165.09
IUPAC Name13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one
SMILESCCCOCCOCCOCCCC(=O)c1ccc(Cn2c(-c3cc(C)cc(C(F)(F)F)c3)nc(-c3ccc(C)cc3)c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2c(-c3ccc(C)cc3)nc(-c3cc(C)cc(C(F)(F)F)c3)n2Cc2ccc(C(=O)CCCCCCCCCCCCN)cc2)cc1.COc1ccc(-c2c(-c3ccc(C)cc3)nc(-c3cc(C)cc(C(F)(F)F)c3)n2Cc2ccc(C(=O)CCCCOCCOCCCN)cc2)cc1
InChIInChI=1S/C45H52F3N3O2.C43H47F3N2O5.C42H46F3N3O4/c1-32-15-19-36(20-16-32)42-43(37-23-25-40(53-3)26-24-37)51(44(50-42)38-28-33(2)29-39(30-38)45(46,47)48)31-34-17-21-35(22-18-34)41(52)14-12-10-8-6-4-5-7-9-11-13-27-49;1-5-20-51-22-24-53-25-23-52-21-6-7-39(49)33-14-10-32(11-15-33)29-48-41(35-16-18-38(50-4)19-17-35)40(34-12-8-30(2)9-13-34)47-42(48)36-26-31(3)27-37(28-36)43(44,45)46;1-29-8-12-33(13-9-29)39-40(34-16-18-37(50-3)19-17-34)48(41(47-39)35-25-30(2)26-36(27-35)42(43,44)45)28-31-10-14-32(15-11-31)38(49)7-4-5-21-51-23-24-52-22-6-20-46/h15-26,28-30H,4-14,27,31,49H2,1-3H3;8-19,26-28H,5-7,20-25,29H2,1-4H3;8-19,25-27H,4-7,20-24,28,46H2,1-3H3
InChIKeyNPJWTKOKOOXHGQ-UHFFFAOYSA-N
XLogP31.32
TPSA230.55 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds56
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002166.62
LogP ≤ 531.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one with MolForge

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Related Compounds

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CID 25006263
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide
CID 59293891
4-[[2-[3,5-Bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 59293892
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CID 69326471
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CID 88545490
1-[4-[[[2-[3-Butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]-1-[4-(difluoromethoxy)phenyl]ethyl]amino]methyl]phenyl]ethanone
CID 90976888
N-[2-[3-(2-aminoethoxy)propoxy]ethyl]-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide
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N-(6-aminohexyl)-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide
CID 117984424
N-(7-aminoheptyl)-4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide
CID 117984434
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CID 117984435

Frequently Asked Questions

What is the IUPAC name of 13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one?
The IUPAC name of 13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one (CID 159846639) is 13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one.
What is the SMILES notation for 13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one?
The canonical SMILES for 13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one is CCCOCCOCCOCCCC(=O)c1ccc(Cn2c(-c3cc(C)cc(C(F)(F)F)c3)nc(-c3ccc(C)cc3)c2-c2ccc(OC)cc2)cc1.COc1ccc(-c2c(-c3ccc(C)cc3)nc(-c3cc(C)cc(C(F)(F)F)c3)n2Cc2ccc(C(=O)CCCCCCCCCCCCN)cc2)cc1.COc1ccc(-c2c(-c3ccc(C)cc3)nc(-c3cc(C)cc(C(F)(F)F)c3)n2Cc2ccc(C(=O)CCCCOCCOCCCN)cc2)cc1.
What is the InChIKey of 13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one?
The InChIKey is NPJWTKOKOOXHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H52F3N3O2.C43H47F3N2O5.C42H46F3N3O4/c1-32-15-19-36(20-16-32)42-43(37-23-25-40(53-3)26-24-37)51(44(50-42)38-28-33(2)29-39(30-38)45(46,47)48)31-34-17-21-35(22-18-34)41(52)14-12-10-8-6-4-5-7-9-11-13-27-49;1-5-20-51-22-24-53-25-23-52-21-6-7-39(49)33-14-10-32(11-15-33)29-48-41(35-16-18-38(50-4)19-17-35)40(34-12-8-30(2)9-13-34)47-42(48)36-26-31(3)27-37(28-36)43(44,45)46;1-29-8-12-33(13-9-29)39-40(34-16-18-37(50-3)19-17-34)48(41(47-39)35-25-30(2)26-36(27-35)42(43,44)45)28-31-10-14-32(15-11-31)38(49)7-4-5-21-51-23-24-52-22-6-20-46/h15-26,28-30H,4-14,27,31,49H2,1-3H3;8-19,26-28H,5-7,20-25,29H2,1-4H3;8-19,25-27H,4-7,20-24,28,46H2,1-3H3.
What are the key properties of 13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one?
13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one has a molecular weight of 2166.62 g/mol, XLogP of 31.32, 56 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 13-amino-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]tridecan-1-one;5-[2-(3-aminopropoxy)ethoxy]-1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]pentan-1-one;1-[4-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenyl]-4-[2-(2-propoxyethoxy)ethoxy]butan-1-one is sourced from PubChem (CID 159846639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).