N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,5-dimethyl-3H-pyrrole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide

C67H49ClF8N22O6S — CID 157351773

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,5-dimethyl-3H-pyrrole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,5-dimethyl-3H-pyrrole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide (PubChem CID 157351773) has the molecular formula C67H49ClF8N22O6S and a molecular weight of 1477.78 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,5-dimethyl-3H-pyrrole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide.

Molecular Properties

• Compound Name: N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,5-dimethyl-3H-pyrrole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide
• PubChem CID: 157351773
• Molecular Formula: C67H49ClF8N22O6S
• Molecular Weight: 1477.78 g/mol
• Exact Mass: 1476.35
• IUPAC Name: N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,5-dimethyl-3H-pyrrole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide
• SMILES: CC1=NC(C)=C(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)C1.COc1cscc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1noc(C(F)(F)F)c1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1)c1c(F)cccc1F
• InChI: InChI=1S/C18H9ClF5N5O.C17H16N6O.C16H11F3N6O2.C16H13N5O2S/c19-8-4-7(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;1-9-7-11(10(2)19-9)17(24)22-14-8-18-23-15(14)16-20-12-5-3-4-6-13(12)21-16;1-7-11(13(27-25-7)16(17,18)19)15(26)23-10-6-20-24-12(10)14-21-8-4-2-3-5-9(8)22-14;1-23-13-8-24-7-9(13)16(22)20-12-6-17-21-14(12)15-18-10-4-2-3-5-11(10)19-15/h1-6H,(H,25,29)(H,26,28)(H,27,30);3-6,8H,7H2,1-2H3,(H,18,23)(H,20,21)(H,22,24);2-6H,1H3,(H,20,24)(H,21,22)(H,23,26);2-8H,1H3,(H,17,21)(H,18,19)(H,20,22)
• InChIKey: BHPSGSKVYIVBAL-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 393.46 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1477.78
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,5-dimethyl-3H-pyrrole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide?

The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,5-dimethyl-3H-pyrrole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide (CID 157351773) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,5-dimethyl-3H-pyrrole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide.

What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,5-dimethyl-3H-pyrrole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide?

The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,5-dimethyl-3H-pyrrole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide is CC1=NC(C)=C(C(=O)Nc2cn[nH]c2-c2nc3ccccc3[nH]2)C1.COc1cscc1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.Cc1noc(C(F)(F)F)c1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1)c1c(F)cccc1F.

What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,5-dimethyl-3H-pyrrole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide?

The InChIKey is BHPSGSKVYIVBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF5N5O.C17H16N6O.C16H11F3N6O2.C16H13N5O2S/c19-8-4-7(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;1-9-7-11(10(2)19-9)17(24)22-14-8-18-23-15(14)16-20-12-5-3-4-6-13(12)21-16;1-7-11(13(27-25-7)16(17,18)19)15(26)23-10-6-20-24-12(10)14-21-8-4-2-3-5-9(8)22-14;1-23-13-8-24-7-9(13)16(22)20-12-6-17-21-14(12)15-18-10-4-2-3-5-11(10)19-15/h1-6H,(H,25,29)(H,26,28)(H,27,30);3-6,8H,7H2,1-2H3,(H,18,23)(H,20,21)(H,22,24);2-6H,1H3,(H,20,24)(H,21,22)(H,23,26);2-8H,1H3,(H,17,21)(H,18,19)(H,20,22).

What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,5-dimethyl-3H-pyrrole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide?

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,5-dimethyl-3H-pyrrole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide has a molecular weight of 1477.78 g/mol, XLogP of 14.98, 13 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,5-dimethyl-3H-pyrrole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methoxythiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide;N-[5-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 157351773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).