3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide

C151H135F2N29O7 — CID 162194231

IUPAC3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESCC(F)(F)c1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)cc1.Cc1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)cc1.Cc1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)cc1.Cc1nccn1-c1ccc(C(=O)NCCCn2ccnc2)cc1C#Cc1ccccc1.O=C(NCCCn1ccnc1)c1ccc(-n2cnnc2)c(C#Cc2ccccc2)c1.O=C(NCCCn1ccnc1)c1ccc(Oc2ccccc2)c(C#Cc2ccccc2)c1
InChIInChI=1S/C27H23N3O2.C26H23F2N5O.3C25H23N5O.C23H20N6O/c31-27(29-16-7-18-30-19-17-28-21-30)24-14-15-26(32-25-10-5-2-6-11-25)23(20-24)13-12-22-8-3-1-4-9-22;1-26(27,28)23-9-5-20(6-10-23)4-7-21-18-22(8-11-24(21)33-16-3-13-31-33)25(34)30-12-2-15-32-17-14-29-19-32;2*1-20-4-6-21(7-5-20)8-9-22-18-23(10-11-24(22)30-16-3-13-28-30)25(31)27-12-2-15-29-17-14-26-19-29;1-20-27-14-17-30(20)24-11-10-23(18-22(24)9-8-21-6-3-2-4-7-21)25(31)28-12-5-15-29-16-13-26-19-29;30-23(25-11-4-13-28-14-12-24-16-28)21-9-10-22(29-17-26-27-18-29)20(15-21)8-7-19-5-2-1-3-6-19/h1-6,8-11,14-15,17,19-21H,7,16,18H2,(H,29,31);3,5-6,8-11,13-14,16-19H,2,12,15H2,1H3,(H,30,34);2*3-7,10-11,13-14,16-19H,2,12,15H2,1H3,(H,27,31);2-4,6-7,10-11,13-14,16-19H,5,12,15H2,1H3,(H,28,31);1-3,5-6,9-10,12,14-18H,4,11,13H2,(H,25,30)
InChIKeyZQSNVRGISVWUGN-UHFFFAOYSA-N
MW2505.93 g/mol
LogP22.77
Rot. Bonds38

About 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide

3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 162194231) has the molecular formula C151H135F2N29O7 and a molecular weight of 2505.93 g/mol. Its IUPAC name is 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID162194231
Molecular FormulaC151H135F2N29O7
Molecular Weight2505.93 g/mol
Exact Mass2504.11
IUPAC Name3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESCC(F)(F)c1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)cc1.Cc1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)cc1.Cc1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)cc1.Cc1nccn1-c1ccc(C(=O)NCCCn2ccnc2)cc1C#Cc1ccccc1.O=C(NCCCn1ccnc1)c1ccc(-n2cnnc2)c(C#Cc2ccccc2)c1.O=C(NCCCn1ccnc1)c1ccc(Oc2ccccc2)c(C#Cc2ccccc2)c1
InChIInChI=1S/C27H23N3O2.C26H23F2N5O.3C25H23N5O.C23H20N6O/c31-27(29-16-7-18-30-19-17-28-21-30)24-14-15-26(32-25-10-5-2-6-11-25)23(20-24)13-12-22-8-3-1-4-9-22;1-26(27,28)23-9-5-20(6-10-23)4-7-21-18-22(8-11-24(21)33-16-3-13-31-33)25(34)30-12-2-15-32-17-14-29-19-32;2*1-20-4-6-21(7-5-20)8-9-22-18-23(10-11-24(22)30-16-3-13-28-30)25(31)27-12-2-15-29-17-14-26-19-29;1-20-27-14-17-30(20)24-11-10-23(18-22(24)9-8-21-6-3-2-4-7-21)25(31)28-12-5-15-29-16-13-26-19-29;30-23(25-11-4-13-28-14-12-24-16-28)21-9-10-22(29-17-26-27-18-29)20(15-21)8-7-19-5-2-1-3-6-19/h1-6,8-11,14-15,17,19-21H,7,16,18H2,(H,29,31);3,5-6,8-11,13-14,16-19H,2,12,15H2,1H3,(H,30,34);2*3-7,10-11,13-14,16-19H,2,12,15H2,1H3,(H,27,31);2-4,6-7,10-11,13-14,16-19H,5,12,15H2,1H3,(H,28,31);1-3,5-6,9-10,12,14-18H,4,11,13H2,(H,25,30)
InChIKeyZQSNVRGISVWUGN-UHFFFAOYSA-N
XLogP22.77
TPSA392.74 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds38
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002505.93
LogP ≤ 522.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide with MolForge

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Related Compounds

N-(3-{6-[1-(4-Methoxybenzyl)-1H-pyrazol-4-yl]-1H-imidazo[1,2-b]pyrazol-1-yl}-4-methyl-phenyl)-3-(2-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 89700195
N-[3-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]imidazo[1,2-b]pyrazol-5-yl]-4-methylphenyl]-3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 89700196
N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-yl-3-[[2-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrazol-4-yl)propylcarbamoyl]phenyl]ethynyl]phenoxy]methyl]-5-[2-[3-(trifluoromethyl)phenyl]ethynyl]benzamide
CID 123495655
3-[2-[4-(aminomethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrazol-4-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(3-cyanophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-[3-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 157677333
3-[2-[3-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 157730782
3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-hydroxyphenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;bis(3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide);3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]-3-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzamide
CID 158234278
3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 159683502
CID 159970954
CID 159970954
N,N-diethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N,N-dimethyl-4-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethoxy)aniline;N,N-dimethyl-4-propan-2-yl-2-(trifluoromethyl)aniline;N-methyl-4-propan-2-ylbenzamide;2-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene;1-methyl-4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;piperazin-1-yl-(4-propan-2-ylphenyl)methanone;N-(4-propan-2-ylphenyl)acetamide;1-[5-propan-2-yl-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]imidazole;4-[4-propan-2-yl-2-(trifluoromethyl)phenyl]morpholine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]piperazine;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrazole;1-[4-propan-2-yl-2-(trifluoromethyl)phenyl]pyrrolidine;2,2,2-trifluoro-N-(4-propan-2-ylphenyl)acetamide
CID 161753822
3-[2-(2-fluorophenyl)ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;4-morpholin-4-yl-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;4-phenoxy-3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-(2-phenylethynyl)-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrolidin-1-ylbenzamide
CID 157439050
5-(1-butylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-butyl-3-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzamide;N',N'-diethyl-N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]ethane-1,2-diamine;5-(1-prop-2-ynylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157675093
4,5,8,15,17,25,29-Heptazahexacyclo[23.3.1.12,5.119,23.08,16.09,14]hentriaconta-1(29),2(31),3,9,11,13,15,19,21,23(30),27-undecaene-18,26-dione;3-methoxy-8,15,17,25,29-pentazahexacyclo[23.3.1.12,6.119,23.08,16.09,14]hentriaconta-1(29),2,4,6(31),9,11,13,15,19,21,23(30),27-dodecaene-18,26-dione;3-methyl-8,15,17,25,29-pentazahexacyclo[23.3.1.12,6.119,23.08,16.09,14]hentriaconta-1(29),2,4,6(31),9,11,13,15,19,21,23(30),27-dodecaene-18,26-dione
CID 157801599

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide (CID 162194231) is 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide is CC(F)(F)c1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)cc1.Cc1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)cc1.Cc1ccc(C#Cc2cc(C(=O)NCCCn3ccnc3)ccc2-n2cccn2)cc1.Cc1nccn1-c1ccc(C(=O)NCCCn2ccnc2)cc1C#Cc1ccccc1.O=C(NCCCn1ccnc1)c1ccc(-n2cnnc2)c(C#Cc2ccccc2)c1.O=C(NCCCn1ccnc1)c1ccc(Oc2ccccc2)c(C#Cc2ccccc2)c1.
What is the InChIKey of 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is ZQSNVRGISVWUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2.C26H23F2N5O.3C25H23N5O.C23H20N6O/c31-27(29-16-7-18-30-19-17-28-21-30)24-14-15-26(32-25-10-5-2-6-11-25)23(20-24)13-12-22-8-3-1-4-9-22;1-26(27,28)23-9-5-20(6-10-23)4-7-21-18-22(8-11-24(21)33-16-3-13-31-33)25(34)30-12-2-15-32-17-14-29-19-32;2*1-20-4-6-21(7-5-20)8-9-22-18-23(10-11-24(22)30-16-3-13-28-30)25(31)27-12-2-15-29-17-14-26-19-29;1-20-27-14-17-30(20)24-11-10-23(18-22(24)9-8-21-6-3-2-4-7-21)25(31)28-12-5-15-29-16-13-26-19-29;30-23(25-11-4-13-28-14-12-24-16-28)21-9-10-22(29-17-26-27-18-29)20(15-21)8-7-19-5-2-1-3-6-19/h1-6,8-11,14-15,17,19-21H,7,16,18H2,(H,29,31);3,5-6,8-11,13-14,16-19H,2,12,15H2,1H3,(H,30,34);2*3-7,10-11,13-14,16-19H,2,12,15H2,1H3,(H,27,31);2-4,6-7,10-11,13-14,16-19H,5,12,15H2,1H3,(H,28,31);1-3,5-6,9-10,12,14-18H,4,11,13H2,(H,25,30).
What are the key properties of 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide?
3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 2505.93 g/mol, XLogP of 22.77, 38 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-4-(2-methylimidazol-1-yl)-3-(2-phenylethynyl)benzamide;bis(N-(3-imidazol-1-ylpropyl)-3-[2-(4-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide);N-(3-imidazol-1-ylpropyl)-4-phenoxy-3-(2-phenylethynyl)benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 162194231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).