1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide)

C91H80F12N14O2 — CID 159887911

IUPAC1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide)
SMILESCCN1CCN(Cc2cccc(-c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)c2)CC1.Cn1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(CN2CCNCC2)c1.O=C(Nc1cccc(-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)c1)c1ccccc1.O=C(Nc1cccc(-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)c1)c1ccccc1
InChIInChI=1S/C23H25F3N4.2C23H16F3N3O.C22H23F3N4/c1-2-29-9-11-30(12-10-29)16-17-5-3-7-19(13-17)22-27-15-21(28-22)18-6-4-8-20(14-18)23(24,25)26;2*24-23(25,26)18-10-4-8-16(12-18)20-14-27-21(29-20)17-9-5-11-19(13-17)28-22(30)15-6-2-1-3-7-15;1-28-15-20(17-5-3-7-19(13-17)22(23,24)25)27-21(28)18-6-2-4-16(12-18)14-29-10-8-26-9-11-29/h3-8,13-15H,2,9-12,16H2,1H3,(H,27,28);2*1-14H,(H,27,29)(H,28,30);2-7,12-13,15,26H,8-11,14H2,1H3
InChIKeyNUJGVOORTRTLKR-UHFFFAOYSA-N
MW1629.71 g/mol
LogP21.11
Rot. Bonds17

About 1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide)

1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide) (PubChem CID 159887911) has the molecular formula C91H80F12N14O2 and a molecular weight of 1629.71 g/mol. Its IUPAC name is 1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide).

Molecular Properties

Compound Name1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide)
PubChem CID159887911
Molecular FormulaC91H80F12N14O2
Molecular Weight1629.71 g/mol
Exact Mass1628.64
IUPAC Name1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide)
SMILESCCN1CCN(Cc2cccc(-c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)c2)CC1.Cn1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(CN2CCNCC2)c1.O=C(Nc1cccc(-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)c1)c1ccccc1.O=C(Nc1cccc(-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)c1)c1ccccc1
InChIInChI=1S/C23H25F3N4.2C23H16F3N3O.C22H23F3N4/c1-2-29-9-11-30(12-10-29)16-17-5-3-7-19(13-17)22-27-15-21(28-22)18-6-4-8-20(14-18)23(24,25)26;2*24-23(25,26)18-10-4-8-16(12-18)20-14-27-21(29-20)17-9-5-11-19(13-17)28-22(30)15-6-2-1-3-7-15;1-28-15-20(17-5-3-7-19(13-17)22(23,24)25)27-21(28)18-6-2-4-16(12-18)14-29-10-8-26-9-11-29/h3-8,13-15H,2,9-12,16H2,1H3,(H,27,28);2*1-14H,(H,27,29)(H,28,30);2-7,12-13,15,26H,8-11,14H2,1H3
InChIKeyNUJGVOORTRTLKR-UHFFFAOYSA-N
XLogP21.11
TPSA183.81 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001629.71
LogP ≤ 521.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide) with MolForge

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Related Compounds

(2R)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone
CID 67146944
(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-2-piperidin-1-ylethanone
CID 76332556
3-(4-methylimidazol-1-yl)-N-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-5-(trifluoromethyl)benzamide
CID 11621097
N-[(1-methylimidazol-2-yl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 44523896
N-[2-(1-methylimidazol-4-yl)ethyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 44524099
N-[2-(1-methylimidazol-4-yl)ethyl]-3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 44524102
N-(2,6-difluorophenyl)-3-(3-(2-(3-(pyrrolidin-1-ylmethyl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571765
1-(2-fluoro-4-(trifluoromethyl)phenyl)-3-(3-(5-(3-(piperazine-1-carbonyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl)urea
CID 45267792
N-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 46878649
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]benzamide
CID 49797942
4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-ylphenyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 155536370
4-methyl-3-((2-(1H-imidazol-2-yl)pyridin-5-yl)ethynyl)-N-[4-((4-methylpiperazin-1-yl)methyl)-3-trifluoromethylphenyl]benzamide
CID 76072833

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide)?
The IUPAC name of 1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide) (CID 159887911) is 1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide).
What is the SMILES notation for 1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide)?
The canonical SMILES for 1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide) is CCN1CCN(Cc2cccc(-c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)c2)CC1.Cn1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(CN2CCNCC2)c1.O=C(Nc1cccc(-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)c1)c1ccccc1.O=C(Nc1cccc(-c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)c1)c1ccccc1.
What is the InChIKey of 1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide)?
The InChIKey is NUJGVOORTRTLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4.2C23H16F3N3O.C22H23F3N4/c1-2-29-9-11-30(12-10-29)16-17-5-3-7-19(13-17)22-27-15-21(28-22)18-6-4-8-20(14-18)23(24,25)26;2*24-23(25,26)18-10-4-8-16(12-18)20-14-27-21(29-20)17-9-5-11-19(13-17)28-22(30)15-6-2-1-3-7-15;1-28-15-20(17-5-3-7-19(13-17)22(23,24)25)27-21(28)18-6-2-4-16(12-18)14-29-10-8-26-9-11-29/h3-8,13-15H,2,9-12,16H2,1H3,(H,27,28);2*1-14H,(H,27,29)(H,28,30);2-7,12-13,15,26H,8-11,14H2,1H3.
What are the key properties of 1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide)?
1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide) has a molecular weight of 1629.71 g/mol, XLogP of 21.11, 17 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]methyl]piperazine;1-[[3-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]phenyl]methyl]piperazine;bis(N-[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]phenyl]benzamide) is sourced from PubChem (CID 159887911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).