2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide

C84H89ClF3N15O8 — CID 87336039

IUPAC2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC(CCO)Cc2ccc(-c3cn(C)c(C(F)(F)F)n3)cc2)cc1C#N.CC(C)Oc1ccc(C(N)=O)c(C(Cc2ccc(-c3cn(C)c(C(C)(C)C)n3)cc2)c2ncn[nH]2)c1C#N.Cc1cccn2cc(-c3ccc(CC(CCO)c4c(C(N)=O)ccc(OC(C)C)c4C#N)cc3Cl)nc12
InChIInChI=1S/C29H29ClN4O3.C29H33N7O2.C26H27F3N4O3/c1-17(2)37-26-9-8-22(28(32)36)27(23(26)15-31)20(10-12-35)13-19-6-7-21(24(30)14-19)25-16-34-11-4-5-18(3)29(34)33-25;1-17(2)38-24-12-11-20(26(31)37)25(22(24)14-30)21(27-32-16-33-35-27)13-18-7-9-19(10-8-18)23-15-36(6)28(34-23)29(3,4)5;1-16(2)36-23-9-8-19(13-20(23)14-30)24(35)31-21(10-11-34)12-17-4-6-18(7-5-17)22-15-33(3)25(32-22)26(27,28)29/h4-9,11,14,16-17,20,35H,10,12-13H2,1-3H3,(H2,32,36);7-12,15-17,21H,13H2,1-6H3,(H2,31,37)(H,32,33,35);4-9,13,15-16,21,34H,10-12H2,1-3H3,(H,31,35)
InChIKeyWOIPTUIHMCQGCM-UHFFFAOYSA-N
MW1529.18 g/mol
LogP14.55
Rot. Bonds26

About 2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide

2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 87336039) has the molecular formula C84H89ClF3N15O8 and a molecular weight of 1529.18 g/mol. Its IUPAC name is 2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
PubChem CID87336039
Molecular FormulaC84H89ClF3N15O8
Molecular Weight1529.18 g/mol
Exact Mass1527.67
IUPAC Name2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC(CCO)Cc2ccc(-c3cn(C)c(C(F)(F)F)n3)cc2)cc1C#N.CC(C)Oc1ccc(C(N)=O)c(C(Cc2ccc(-c3cn(C)c(C(C)(C)C)n3)cc2)c2ncn[nH]2)c1C#N.Cc1cccn2cc(-c3ccc(CC(CCO)c4c(C(N)=O)ccc(OC(C)C)c4C#N)cc3Cl)nc12
InChIInChI=1S/C29H29ClN4O3.C29H33N7O2.C26H27F3N4O3/c1-17(2)37-26-9-8-22(28(32)36)27(23(26)15-31)20(10-12-35)13-19-6-7-21(24(30)14-19)25-16-34-11-4-5-18(3)29(34)33-25;1-17(2)38-24-12-11-20(26(31)37)25(22(24)14-30)21(27-32-16-33-35-27)13-18-7-9-19(10-8-18)23-15-36(6)28(34-23)29(3,4)5;1-16(2)36-23-9-8-19(13-20(23)14-30)24(35)31-21(10-11-34)12-17-4-6-18(7-5-17)22-15-33(3)25(32-22)26(27,28)29/h4-9,11,14,16-17,20,35H,10,12-13H2,1-3H3,(H2,32,36);7-12,15-17,21H,13H2,1-6H3,(H2,31,37)(H,32,33,35);4-9,13,15-16,21,34H,10-12H2,1-3H3,(H,31,35)
InChIKeyWOIPTUIHMCQGCM-UHFFFAOYSA-N
XLogP14.55
TPSA349.31 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001529.18
LogP ≤ 514.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide with MolForge

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Related Compounds

3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 173059727
N-[1-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68652058
N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68652284
3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate
CID 173059561
3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methane
CID 161057370
N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68652012
N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 11627719
N-[5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68651185
2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
CID 68653901
3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 11699157
3-cyano-N-[4-hydroxy-1-[4-(1-methyl-2-prop-1-en-2-ylimidazol-4-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
CID 68651912
3-cyano-N-[(2S)-1-[4-[1-ethyl-2-(3-hydroxypentan-3-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 11620744

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of 2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide (CID 87336039) is 2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC(CCO)Cc2ccc(-c3cn(C)c(C(F)(F)F)n3)cc2)cc1C#N.CC(C)Oc1ccc(C(N)=O)c(C(Cc2ccc(-c3cn(C)c(C(C)(C)C)n3)cc2)c2ncn[nH]2)c1C#N.Cc1cccn2cc(-c3ccc(CC(CCO)c4c(C(N)=O)ccc(OC(C)C)c4C#N)cc3Cl)nc12.
What is the InChIKey of 2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?
The InChIKey is WOIPTUIHMCQGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O3.C29H33N7O2.C26H27F3N4O3/c1-17(2)37-26-9-8-22(28(32)36)27(23(26)15-31)20(10-12-35)13-19-6-7-21(24(30)14-19)25-16-34-11-4-5-18(3)29(34)33-25;1-17(2)38-24-12-11-20(26(31)37)25(22(24)14-30)21(27-32-16-33-35-27)13-18-7-9-19(10-8-18)23-15-36(6)28(34-23)29(3,4)5;1-16(2)36-23-9-8-19(13-20(23)14-30)24(35)31-21(10-11-34)12-17-4-6-18(7-5-17)22-15-33(3)25(32-22)26(27,28)29/h4-9,11,14,16-17,20,35H,10,12-13H2,1-3H3,(H2,32,36);7-12,15-17,21H,13H2,1-6H3,(H2,31,37)(H,32,33,35);4-9,13,15-16,21,34H,10-12H2,1-3H3,(H,31,35).
What are the key properties of 2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?
2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 1529.18 g/mol, XLogP of 14.55, 26 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 87336039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).