N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide

C71H40Cl4F14N20O4 — CID 160901699

About N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide

N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide (PubChem CID 160901699) has the molecular formula C71H40Cl4F14N20O4 and a molecular weight of 1645.02 g/mol. Its IUPAC name is N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide.

Molecular Properties

• Compound Name: N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
• PubChem CID: 160901699
• Molecular Formula: C71H40Cl4F14N20O4
• Molecular Weight: 1645.02 g/mol
• Exact Mass: 1642.21
• IUPAC Name: N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
• SMILES: Cc1cc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc2cc1Cl.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-c1nc2cc(Cl)c(Cl)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(Cl)cc2[nH]1)c1c(F)cccc1F
• InChI: InChI=1S/C19H9F8N5O.C18H12ClF2N5O.C17H9Cl2F2N5O.C17H10ClF2N5O/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;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;18-7-4-11-12(5-8(7)19)24-16(23-11)15-13(6-22-26-15)25-17(27)14-9(20)2-1-3-10(14)21;18-8-4-5-11-12(6-8)23-16(22-11)15-13(7-21-25-15)24-17(26)14-9(19)2-1-3-10(14)20/h1-6H,(H,28,32)(H,29,31)(H,30,33);2-7H,1H3,(H,22,26)(H,23,24)(H,25,27);1-6H,(H,22,26)(H,23,24)(H,25,27);1-7H,(H,21,25)(H,22,23)(H,24,26)
• InChIKey: SPOZHMVBPQLTPY-UHFFFAOYSA-N
• XLogP: 18.89
• TPSA: 345.84 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1645.02
LogP ≤ 5	18.89
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?

The IUPAC name of N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide (CID 160901699) is N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide.

What is the SMILES notation for N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?

The canonical SMILES for N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide is Cc1cc2[nH]c(-c3[nH]ncc3NC(=O)c3c(F)cccc3F)nc2cc1Cl.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-c1nc2cc(Cl)c(Cl)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(Cl)cc2[nH]1)c1c(F)cccc1F.

What is the InChIKey of N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?

The InChIKey is SPOZHMVBPQLTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F8N5O.C18H12ClF2N5O.C17H9Cl2F2N5O.C17H10ClF2N5O/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;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;18-7-4-11-12(5-8(7)19)24-16(23-11)15-13(6-22-26-15)25-17(27)14-9(20)2-1-3-10(14)21;18-8-4-5-11-12(6-8)23-16(22-11)15-13(7-21-25-15)24-17(26)14-9(19)2-1-3-10(14)20/h1-6H,(H,28,32)(H,29,31)(H,30,33);2-7H,1H3,(H,22,26)(H,23,24)(H,25,27);1-6H,(H,22,26)(H,23,24)(H,25,27);1-7H,(H,21,25)(H,22,23)(H,24,26).

What are the key properties of N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?

N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide has a molecular weight of 1645.02 g/mol, XLogP of 18.89, 12 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;N-[5-(6-chloro-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-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 160901699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).