4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide

C143H112Cl3F13N36O17S — CID 160684069

About 4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide

4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide (PubChem CID 160684069) has the molecular formula C143H112Cl3F13N36O17S and a molecular weight of 2992.10 g/mol. Its IUPAC name is 4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
• PubChem CID: 160684069
• Molecular Formula: C143H112Cl3F13N36O17S
• Molecular Weight: 2992.10 g/mol
• Exact Mass: 2988.76
• IUPAC Name: 4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
• SMILES: C=CC(=O)Nc1cc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)ccc1C(F)(F)F.C=CC(=O)Nc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(C(=O)C=C(C)C)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)CCl)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(-c5noc(F)n5)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(-c5nsc(C)n5)c4)[nH]c3c2)ccn1
• InChI: InChI=1S/C26H22F3N5O3.C24H19ClF3N5O3.2C24H19F3N6O3.C23H18ClN7O2S.C22H15ClFN7O3/c1-14(2)10-23(35)18-6-4-15(11-19(18)26(27,28)29)32-25-33-20-7-5-16(12-21(20)34-25)37-17-8-9-31-22(13-17)24(36)30-3;1-29-22(35)21-11-17(6-7-30-21)36-16-4-5-19-20(10-16)33-23(32-19)31-14-3-2-13(8-15(34)12-25)18(9-14)24(26,27)28;1-3-21(34)31-17-6-4-13(10-16(17)24(25,26)27)30-23-32-18-7-5-14(11-19(18)33-23)36-15-8-9-29-20(12-15)22(35)28-2;1-3-21(34)31-18-10-13(4-6-16(18)24(25,26)27)30-23-32-17-7-5-14(11-19(17)33-23)36-15-8-9-29-20(12-15)22(35)28-2;1-12-27-21(31-34-12)16-9-13(3-5-17(16)24)28-23-29-18-6-4-14(10-19(18)30-23)33-15-7-8-26-20(11-15)22(32)25-2;1-25-20(32)18-10-13(6-7-26-18)33-12-3-5-16-17(9-12)29-22(28-16)27-11-2-4-15(23)14(8-11)19-30-21(24)34-31-19/h4-13H,1-3H3,(H,30,36)(H2,32,33,34);2-7,9-11H,8,12H2,1H3,(H,29,35)(H2,31,32,33);2*3-12H,1H2,2H3,(H,28,35)(H,31,34)(H2,30,32,33);3-11H,1-2H3,(H,25,32)(H2,28,29,30);2-10H,1H3,(H,25,32)(H2,27,28,29)
• InChIKey: RONIHJTXBOZBOX-UHFFFAOYSA-N
• XLogP: 31.27
• TPSA: 708.62 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 40
• Rotatable Bonds: 41
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2992.10
LogP ≤ 5	31.27
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?

The IUPAC name of 4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide (CID 160684069) is 4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide.

What is the SMILES notation for 4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?

The canonical SMILES for 4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide is C=CC(=O)Nc1cc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)ccc1C(F)(F)F.C=CC(=O)Nc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(C(=O)C=C(C)C)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)CCl)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(-c5noc(F)n5)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(-c5nsc(C)n5)c4)[nH]c3c2)ccn1.

What is the InChIKey of 4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?

The InChIKey is RONIHJTXBOZBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O3.C24H19ClF3N5O3.2C24H19F3N6O3.C23H18ClN7O2S.C22H15ClFN7O3/c1-14(2)10-23(35)18-6-4-15(11-19(18)26(27,28)29)32-25-33-20-7-5-16(12-21(20)34-25)37-17-8-9-31-22(13-17)24(36)30-3;1-29-22(35)21-11-17(6-7-30-21)36-16-4-5-19-20(10-16)33-23(32-19)31-14-3-2-13(8-15(34)12-25)18(9-14)24(26,27)28;1-3-21(34)31-17-6-4-13(10-16(17)24(25,26)27)30-23-32-18-7-5-14(11-19(18)33-23)36-15-8-9-29-20(12-15)22(35)28-2;1-3-21(34)31-18-10-13(4-6-16(18)24(25,26)27)30-23-32-17-7-5-14(11-19(17)33-23)36-15-8-9-29-20(12-15)22(35)28-2;1-12-27-21(31-34-12)16-9-13(3-5-17(16)24)28-23-29-18-6-4-14(10-19(18)30-23)33-15-7-8-26-20(11-15)22(32)25-2;1-25-20(32)18-10-13(6-7-26-18)33-12-3-5-16-17(9-12)29-22(28-16)27-11-2-4-15(23)14(8-11)19-30-21(24)34-31-19/h4-13H,1-3H3,(H,30,36)(H2,32,33,34);2-7,9-11H,8,12H2,1H3,(H,29,35)(H2,31,32,33);2*3-12H,1H2,2H3,(H,28,35)(H,31,34)(H2,30,32,33);3-11H,1-2H3,(H,25,32)(H2,28,29,30);2-10H,1H3,(H,25,32)(H2,27,28,29).

What are the key properties of 4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?

4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide has a molecular weight of 2992.10 g/mol, XLogP of 31.27, 41 rotatable bonds, 20 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[4-chloro-3-(5-fluoro-1,2,4-oxadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(5-methyl-1,2,4-thiadiazol-3-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[3-(prop-2-enoylamino)-4-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 160684069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).