N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide

C88H55Cl2F17N26O6S — CID 161358595

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide
SMILESCc1cc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc2cc1Cl.Cc1nc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)s1.O=C(Nc1cn[nH]c1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(O)cc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C19H9F8N5O.C18H9ClF5N5O.C18H12ClF2N5O.C17H11F2N5O2.C16H14N6OS/c20-9-2-1-3-10(21)13(9)17(33)30-12-6-28-32-15(12)16-29-11-5-7(18(22,23)24)4-8(14(11)31-16)19(25,26)27;19-8-4-7(18(22,23)24)5-11-14(8)28-16(26-11)15-12(6-25-29-15)27-17(30)13-9(20)2-1-3-10(13)21;1-8-5-12-13(6-9(8)19)24-17(23-12)16-14(7-22-26-16)25-18(27)15-10(20)3-2-4-11(15)21;18-9-2-1-3-10(19)14(9)17(26)23-13-7-20-24-15(13)16-21-11-5-4-8(25)6-12(11)22-16;1-8-14(24-9(2)18-8)16(23)21-12-7-17-22-13(12)15-19-10-5-3-4-6-11(10)20-15/h1-6H,(H,28,32)(H,29,31)(H,30,33);1-6H,(H,25,29)(H,26,28)(H,27,30);2-7H,1H3,(H,22,26)(H,23,24)(H,25,27);1-7,25H,(H,20,24)(H,21,22)(H,23,26);3-7H,1-2H3,(H,17,22)(H,19,20)(H,21,23)
InChIKeyVOWHIHDADVLIMC-UHFFFAOYSA-N
MW1998.52 g/mol
LogP21.59
Rot. Bonds15

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide (PubChem CID 161358595) has the molecular formula C88H55Cl2F17N26O6S and a molecular weight of 1998.52 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide
PubChem CID161358595
Molecular FormulaC88H55Cl2F17N26O6S
Molecular Weight1998.52 g/mol
Exact Mass1996.36
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide
SMILESCc1cc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc2cc1Cl.Cc1nc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)s1.O=C(Nc1cn[nH]c1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(O)cc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C19H9F8N5O.C18H9ClF5N5O.C18H12ClF2N5O.C17H11F2N5O2.C16H14N6OS/c20-9-2-1-3-10(21)13(9)17(33)30-12-6-28-32-15(12)16-29-11-5-7(18(22,23)24)4-8(14(11)31-16)19(25,26)27;19-8-4-7(18(22,23)24)5-11-14(8)28-16(26-11)15-12(6-25-29-15)27-17(30)13-9(20)2-1-3-10(13)21;1-8-5-12-13(6-9(8)19)24-17(23-12)16-14(7-22-26-16)25-18(27)15-10(20)3-2-4-11(15)21;18-9-2-1-3-10(19)14(9)17(26)23-13-7-20-24-15(13)16-21-11-5-4-8(25)6-12(11)22-16;1-8-14(24-9(2)18-8)16(23)21-12-7-17-22-13(12)15-19-10-5-3-4-6-11(10)20-15/h1-6H,(H,28,32)(H,29,31)(H,30,33);1-6H,(H,25,29)(H,26,28)(H,27,30);2-7H,1H3,(H,22,26)(H,23,24)(H,25,27);1-7,25H,(H,20,24)(H,21,22)(H,23,26);3-7H,1-2H3,(H,17,22)(H,19,20)(H,21,23)
InChIKeyVOWHIHDADVLIMC-UHFFFAOYSA-N
XLogP21.59
TPSA465.42 Ų
H-Bond Donors16
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms140
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001998.52
LogP ≤ 521.59
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1018

Analyze N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide (CID 161358595) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide is Cc1cc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc2cc1Cl.Cc1nc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)s1.O=C(Nc1cn[nH]c1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(O)cc2[nH]1)c1c(F)cccc1F.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide?
The InChIKey is VOWHIHDADVLIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F8N5O.C18H9ClF5N5O.C18H12ClF2N5O.C17H11F2N5O2.C16H14N6OS/c20-9-2-1-3-10(21)13(9)17(33)30-12-6-28-32-15(12)16-29-11-5-7(18(22,23)24)4-8(14(11)31-16)19(25,26)27;19-8-4-7(18(22,23)24)5-11-14(8)28-16(26-11)15-12(6-25-29-15)27-17(30)13-9(20)2-1-3-10(13)21;1-8-5-12-13(6-9(8)19)24-17(23-12)16-14(7-22-26-16)25-18(27)15-10(20)3-2-4-11(15)21;18-9-2-1-3-10(19)14(9)17(26)23-13-7-20-24-15(13)16-21-11-5-4-8(25)6-12(11)22-16;1-8-14(24-9(2)18-8)16(23)21-12-7-17-22-13(12)15-19-10-5-3-4-6-11(10)20-15/h1-6H,(H,28,32)(H,29,31)(H,30,33);1-6H,(H,25,29)(H,26,28)(H,27,30);2-7H,1H3,(H,22,26)(H,23,24)(H,25,27);1-7,25H,(H,20,24)(H,21,22)(H,23,26);3-7H,1-2H3,(H,17,22)(H,19,20)(H,21,23).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide has a molecular weight of 1998.52 g/mol, XLogP of 21.59, 15 rotatable bonds, 16 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 161358595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).