4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane

C74H68F12N6O6 — CID 158666027

IUPAC4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane
SMILESC.COc1ccc(-c2c(-c3ccc(C)cc3)nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2Cc2ccc(C(=O)CCCOCCOCCN)cc2)cc1.COc1ccc(-c2c(-c3ccc(C)cc3)nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2Cc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C40H39F6N3O4.C33H25F6N3O2.CH4/c1-26-5-9-29(10-6-26)36-37(30-13-15-34(51-2)16-14-30)49(38(48-36)31-22-32(39(41,42)43)24-33(23-31)40(44,45)46)25-27-7-11-28(12-8-27)35(50)4-3-18-52-20-21-53-19-17-47;1-19-3-7-21(8-4-19)28-29(22-11-13-27(44-2)14-12-22)42(18-20-5-9-23(10-6-20)30(40)43)31(41-28)24-15-25(32(34,35)36)17-26(16-24)33(37,38)39;/h5-16,22-24H,3-4,17-21,25,47H2,1-2H3;3-17H,18H2,1-2H3,(H2,40,43);1H4
InChIKeyIDJBSTSDOAKKHI-UHFFFAOYSA-N
MW1365.37 g/mol
LogP18.26
Rot. Bonds23

About 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane

4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane (PubChem CID 158666027) has the molecular formula C74H68F12N6O6 and a molecular weight of 1365.37 g/mol. Its IUPAC name is 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane.

Molecular Properties

Compound Name4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane
PubChem CID158666027
Molecular FormulaC74H68F12N6O6
Molecular Weight1365.37 g/mol
Exact Mass1364.50
IUPAC Name4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane
SMILESC.COc1ccc(-c2c(-c3ccc(C)cc3)nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2Cc2ccc(C(=O)CCCOCCOCCN)cc2)cc1.COc1ccc(-c2c(-c3ccc(C)cc3)nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2Cc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C40H39F6N3O4.C33H25F6N3O2.CH4/c1-26-5-9-29(10-6-26)36-37(30-13-15-34(51-2)16-14-30)49(38(48-36)31-22-32(39(41,42)43)24-33(23-31)40(44,45)46)25-27-7-11-28(12-8-27)35(50)4-3-18-52-20-21-53-19-17-47;1-19-3-7-21(8-4-19)28-29(22-11-13-27(44-2)14-12-22)42(18-20-5-9-23(10-6-20)30(40)43)31(41-28)24-15-25(32(34,35)36)17-26(16-24)33(37,38)39;/h5-16,22-24H,3-4,17-21,25,47H2,1-2H3;3-17H,18H2,1-2H3,(H2,40,43);1H4
InChIKeyIDJBSTSDOAKKHI-UHFFFAOYSA-N
XLogP18.26
TPSA158.74 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001365.37
LogP ≤ 518.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane with MolForge

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Related Compounds

Apoptozole
CID 24894064
1-[4-[[(3-Butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
CID 18437757
1-[4-[[[3-Butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
CID 18437758
4-[[[3-Butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl-[[4-(difluoromethoxy)phenyl]methyl]amino]methyl]benzamide
CID 18437945
1-[4-(9-Aza-3,6-dioxanonane-1-ylcarbamoyl)benzyl]-2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-1H-imidazole
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
Methyl 4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]methyl]benzoate
CID 69325962
4-[[[2-(3-Butyl-2,5-diphenylimidazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]amino]methyl]benzoic acid
CID 69326329
4-[[[2-[3-Butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]-1-[4-(difluoromethoxy)phenyl]ethyl]amino]methyl]benzamide
CID 69326471
4-[[2-[3,5-Bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane?
The IUPAC name of 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane (CID 158666027) is 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane.
What is the SMILES notation for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane?
The canonical SMILES for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane is C.COc1ccc(-c2c(-c3ccc(C)cc3)nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2Cc2ccc(C(=O)CCCOCCOCCN)cc2)cc1.COc1ccc(-c2c(-c3ccc(C)cc3)nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2Cc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane?
The InChIKey is IDJBSTSDOAKKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39F6N3O4.C33H25F6N3O2.CH4/c1-26-5-9-29(10-6-26)36-37(30-13-15-34(51-2)16-14-30)49(38(48-36)31-22-32(39(41,42)43)24-33(23-31)40(44,45)46)25-27-7-11-28(12-8-27)35(50)4-3-18-52-20-21-53-19-17-47;1-19-3-7-21(8-4-19)28-29(22-11-13-27(44-2)14-12-22)42(18-20-5-9-23(10-6-20)30(40)43)31(41-28)24-15-25(32(34,35)36)17-26(16-24)33(37,38)39;/h5-16,22-24H,3-4,17-21,25,47H2,1-2H3;3-17H,18H2,1-2H3,(H2,40,43);1H4.
What are the key properties of 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane?
4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane has a molecular weight of 1365.37 g/mol, XLogP of 18.26, 23 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]phenyl]butan-1-one;4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide;methane is sourced from PubChem (CID 158666027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).