N-[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;N-[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 87336037

IUPACN-[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;N-[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(=O)NC(Cc2ccc(-c3cn(C)c(C(C)(C)C)n3)cc2)c2ncn[nH]2)cc1C#N.Cc1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3Cl)nc12
InChIInChI=1S/C29H29ClN4O3.C29H33N7O2.C26H27F3N4O3/c1-18(2)37-27-9-7-21(15-22(27)16-31)29(36)32-23(10-12-35)13-20-6-8-24(25(30)14-20)26-17-34-11-4-5-19(3)28(34)33-26;1-18(2)38-25-12-11-21(14-22(25)15-30)27(37)33-23(26-31-17-32-35-26)13-19-7-9-20(10-8-19)24-16-36(6)28(34-24)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/h4-9,11,14-15,17-18,23,35H,10,12-13H2,1-3H3,(H,32,36);7-12,14,16-18,23H,13H2,1-6H3,(H,33,37)(H,31,32,35);4-9,13,15-16,21,34H,10-12H2,1-3H3,(H,31,35)
InChIKeyRXRUTBHAOPCAEI-UHFFFAOYSA-N
MW1529.18 g/mol
LogP14.71
Rot. Bonds26

About N-[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;N-[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

N-[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;N-[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 87336037) has the molecular formula C84H89ClF3N15O8 and a molecular weight of 1529.18 g/mol. Its IUPAC name is N-[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;N-[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 NameN-[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;N-[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 CID87336037
Molecular FormulaC84H89ClF3N15O8
Molecular Weight1529.18 g/mol
Exact Mass1527.67
IUPAC NameN-[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;N-[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(=O)NC(Cc2ccc(-c3cn(C)c(C(C)(C)C)n3)cc2)c2ncn[nH]2)cc1C#N.Cc1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3Cl)nc12
InChIInChI=1S/C29H29ClN4O3.C29H33N7O2.C26H27F3N4O3/c1-18(2)37-27-9-7-21(15-22(27)16-31)29(36)32-23(10-12-35)13-20-6-8-24(25(30)14-20)26-17-34-11-4-5-19(3)28(34)33-26;1-18(2)38-25-12-11-21(14-22(25)15-30)27(37)33-23(26-31-17-32-35-26)13-19-7-9-20(10-8-19)24-16-36(6)28(34-24)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/h4-9,11,14-15,17-18,23,35H,10,12-13H2,1-3H3,(H,32,36);7-12,14,16-18,23H,13H2,1-6H3,(H,33,37)(H,31,32,35);4-9,13,15-16,21,34H,10-12H2,1-3H3,(H,31,35)
InChIKeyRXRUTBHAOPCAEI-UHFFFAOYSA-N
XLogP14.71
TPSA321.33 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001529.18
LogP ≤ 514.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze N-[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;N-[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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Frequently Asked Questions

What is the IUPAC name of N-[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;N-[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 N-[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;N-[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 87336037) is N-[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;N-[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 N-[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;N-[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 N-[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;N-[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(=O)NC(Cc2ccc(-c3cn(C)c(C(C)(C)C)n3)cc2)c2ncn[nH]2)cc1C#N.Cc1cccn2cc(-c3ccc(CC(CCO)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3Cl)nc12.
What is the InChIKey of N-[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;N-[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 RXRUTBHAOPCAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O3.C29H33N7O2.C26H27F3N4O3/c1-18(2)37-27-9-7-21(15-22(27)16-31)29(36)32-23(10-12-35)13-20-6-8-24(25(30)14-20)26-17-34-11-4-5-19(3)28(34)33-26;1-18(2)38-25-12-11-21(14-22(25)15-30)27(37)33-23(26-31-17-32-35-26)13-19-7-9-20(10-8-19)24-16-36(6)28(34-24)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/h4-9,11,14-15,17-18,23,35H,10,12-13H2,1-3H3,(H,32,36);7-12,14,16-18,23H,13H2,1-6H3,(H,33,37)(H,31,32,35);4-9,13,15-16,21,34H,10-12H2,1-3H3,(H,31,35).
What are the key properties of N-[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;N-[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?
N-[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;N-[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 14.71, 26 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[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;N-[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 87336037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).