disodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite

C78H66Cl4F9N12Na2O16P — CID 160716936

IUPACdisodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite
SMILESC.C.CC(=O)c1cnc(-c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)[nH]1.O=C(CCc1cccc(Oc2ccnc(-c3ncc(C(=O)O)[nH]3)c2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=Cc1cnc(-c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)[nH]1.O=[P+]([O-])OO.[H-].[Na+].[Na+].[O-][Cl+][O-]
InChIInChI=1S/C26H20ClF3N4O3.C25H18ClF3N4O4.C25H18ClF3N4O3.2CH4.ClO2.2Na.HO4P.H/c1-15(35)23-14-32-25(34-23)22-13-19(9-10-31-22)37-18-4-2-3-16(11-18)5-8-24(36)33-17-6-7-21(27)20(12-17)26(28,29)30;26-19-6-5-15(11-18(19)25(27,28)29)32-22(34)7-4-14-2-1-3-16(10-14)37-17-8-9-30-20(12-17)23-31-13-21(33-23)24(35)36;26-21-6-5-16(11-20(21)25(27,28)29)32-23(35)7-4-15-2-1-3-18(10-15)36-19-8-9-30-22(12-19)24-31-13-17(14-34)33-24;;;2-1-3;;;1-4-5(2)3;/h2-4,6-7,9-14H,5,8H2,1H3,(H,32,34)(H,33,36);1-3,5-6,8-13H,4,7H2,(H,31,33)(H,32,34)(H,35,36);1-3,5-6,8-14H,4,7H2,(H,31,33)(H,32,35);2*1H4;;;;1H;/q;;;;;-1;2*+1;;-1
InChIKeyPGHSVPHJZWYOGU-UHFFFAOYSA-N
MW1817.20 g/mol
LogP11.74
Rot. Bonds25

About disodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite

disodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite (PubChem CID 160716936) has the molecular formula C78H66Cl4F9N12Na2O16P and a molecular weight of 1817.20 g/mol. Its IUPAC name is disodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite.

Molecular Properties

Compound Namedisodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite
PubChem CID160716936
Molecular FormulaC78H66Cl4F9N12Na2O16P
Molecular Weight1817.20 g/mol
Exact Mass1814.29
IUPAC Namedisodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite
SMILESC.C.CC(=O)c1cnc(-c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)[nH]1.O=C(CCc1cccc(Oc2ccnc(-c3ncc(C(=O)O)[nH]3)c2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=Cc1cnc(-c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)[nH]1.O=[P+]([O-])OO.[H-].[Na+].[Na+].[O-][Cl+][O-]
InChIInChI=1S/C26H20ClF3N4O3.C25H18ClF3N4O4.C25H18ClF3N4O3.2CH4.ClO2.2Na.HO4P.H/c1-15(35)23-14-32-25(34-23)22-13-19(9-10-31-22)37-18-4-2-3-16(11-18)5-8-24(36)33-17-6-7-21(27)20(12-17)26(28,29)30;26-19-6-5-15(11-18(19)25(27,28)29)32-22(34)7-4-14-2-1-3-16(10-14)37-17-8-9-30-20(12-17)23-31-13-21(33-23)24(35)36;26-21-6-5-16(11-20(21)25(27,28)29)32-23(35)7-4-15-2-1-3-18(10-15)36-19-8-9-30-22(12-19)24-31-13-17(14-34)33-24;;;2-1-3;;;1-4-5(2)3;/h2-4,6-7,9-14H,5,8H2,1H3,(H,32,34)(H,33,36);1-3,5-6,8-13H,4,7H2,(H,31,33)(H,32,34)(H,35,36);1-3,5-6,8-14H,4,7H2,(H,31,33)(H,32,35);2*1H4;;;;1H;/q;;;;;-1;2*+1;;-1
InChIKeyPGHSVPHJZWYOGU-UHFFFAOYSA-N
XLogP11.74
TPSA426.85 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001817.20
LogP ≤ 511.74
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze disodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
CID 58674620
3-[3-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 58674525
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(2-methyl-2-oxidohydrazinyl)-4-pyridinyl]oxy]phenyl]propanamide
CID 163922153
[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]methylcarbamic acid
CID 68683053
3-[3-[[2-[(1-aminoethylideneamino)methyl]-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 58674463
3-[3-[[2-(1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide
CID 162582215
3-[3-[(2-carbamimidoyl-4-pyridinyl)oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 58674309
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(N'-diazenylcarbamimidoyl)-4-pyridinyl]oxy]phenyl]propanamide
CID 171927080
N-[4-ethyl-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide
CID 143262869
ethyl 4-[[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyridine-2-carbonyl]amino]butanoate
CID 11505171
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(7H-purin-6-yloxy)phenyl]propanamide
CID 11539894
4-[2-chloro-4-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58674310

Frequently Asked Questions

What is the IUPAC name of disodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite?
The IUPAC name of disodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite (CID 160716936) is disodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite.
What is the SMILES notation for disodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite?
The canonical SMILES for disodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite is C.C.CC(=O)c1cnc(-c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)[nH]1.O=C(CCc1cccc(Oc2ccnc(-c3ncc(C(=O)O)[nH]3)c2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=Cc1cnc(-c2cc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccn2)[nH]1.O=[P+]([O-])OO.[H-].[Na+].[Na+].[O-][Cl+][O-].
What is the InChIKey of disodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite?
The InChIKey is PGHSVPHJZWYOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF3N4O3.C25H18ClF3N4O4.C25H18ClF3N4O3.2CH4.ClO2.2Na.HO4P.H/c1-15(35)23-14-32-25(34-23)22-13-19(9-10-31-22)37-18-4-2-3-16(11-18)5-8-24(36)33-17-6-7-21(27)20(12-17)26(28,29)30;26-19-6-5-15(11-18(19)25(27,28)29)32-22(34)7-4-14-2-1-3-16(10-14)37-17-8-9-30-20(12-17)23-31-13-21(33-23)24(35)36;26-21-6-5-16(11-20(21)25(27,28)29)32-23(35)7-4-15-2-1-3-18(10-15)36-19-8-9-30-22(12-19)24-31-13-17(14-34)33-24;;;2-1-3;;;1-4-5(2)3;/h2-4,6-7,9-14H,5,8H2,1H3,(H,32,34)(H,33,36);1-3,5-6,8-13H,4,7H2,(H,31,33)(H,32,34)(H,35,36);1-3,5-6,8-14H,4,7H2,(H,31,33)(H,32,35);2*1H4;;;;1H;/q;;;;;-1;2*+1;;-1.
What are the key properties of disodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite?
disodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite has a molecular weight of 1817.20 g/mol, XLogP of 11.74, 25 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;3-[3-[[2-(5-acetyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-2-pyridinyl]-1H-imidazole-5-carboxylic acid;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-(5-formyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]phenyl]propanamide;hydride;hydroperoxy-oxido-oxophosphanium;methane;chlorite is sourced from PubChem (CID 160716936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).