1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide

C97H110F2N24O12 — CID 162025906

About 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide

1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide (PubChem CID 162025906) has the molecular formula C97H110F2N24O12 and a molecular weight of 1842.10 g/mol. Its IUPAC name is 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide
• PubChem CID: 162025906
• Molecular Formula: C97H110F2N24O12
• Molecular Weight: 1842.10 g/mol
• Exact Mass: 1840.87
• IUPAC Name: 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide
• SMILES: CC(F)(F)c1ccc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1.COc1cc2nc(-c3[nH]ncc3NC(=O)C3CCN(Cc4ccccc4)CC3)[nH]c2cc1OC.COc1ccc(OC(C)(C)C)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCOCC1
• InChI: InChI=1S/C27H32N6O4.C25H28N6O3.C24H24F2N6O2.C21H26N6O3/c1-27(2,3)37-18-6-8-23(35-4)19(14-18)26(34)31-22-15-28-32-24(22)25-29-20-7-5-17(13-21(20)30-25)16-33-9-11-36-12-10-33;1-33-21-12-18-19(13-22(21)34-2)28-24(27-18)23-20(14-26-30-23)29-25(32)17-8-10-31(11-9-17)15-16-6-4-3-5-7-16;1-24(25,26)17-5-3-16(4-6-17)23(33)30-20-13-27-31-21(20)22-28-18-7-2-15(12-19(18)29-22)14-32-8-10-34-11-9-32;28-21(15-3-7-29-8-4-15)25-18-12-22-26-19(18)20-23-16-2-1-14(11-17(16)24-20)13-27-5-9-30-10-6-27/h5-8,13-15H,9-12,16H2,1-4H3,(H,28,32)(H,29,30)(H,31,34);3-7,12-14,17H,8-11,15H2,1-2H3,(H,26,30)(H,27,28)(H,29,32);2-7,12-13H,8-11,14H2,1H3,(H,27,31)(H,28,29)(H,30,33);1-2,11-12,15H,3-10,13H2,(H,22,26)(H,23,24)(H,25,28)
• InChIKey: YVJDTUCOGZTZLX-UHFFFAOYSA-N
• XLogP: 14.34
• TPSA: 432.64 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1842.10
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide?

The IUPAC name of 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide (CID 162025906) is 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide.

What is the SMILES notation for 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide?

The canonical SMILES for 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide is CC(F)(F)c1ccc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1.COc1cc2nc(-c3[nH]ncc3NC(=O)C3CCN(Cc4ccccc4)CC3)[nH]c2cc1OC.COc1ccc(OC(C)(C)C)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCOCC1.

What is the InChIKey of 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide?

The InChIKey is YVJDTUCOGZTZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O4.C25H28N6O3.C24H24F2N6O2.C21H26N6O3/c1-27(2,3)37-18-6-8-23(35-4)19(14-18)26(34)31-22-15-28-32-24(22)25-29-20-7-5-17(13-21(20)30-25)16-33-9-11-36-12-10-33;1-33-21-12-18-19(13-22(21)34-2)28-24(27-18)23-20(14-26-30-23)29-25(32)17-8-10-31(11-9-17)15-16-6-4-3-5-7-16;1-24(25,26)17-5-3-16(4-6-17)23(33)30-20-13-27-31-21(20)22-28-18-7-2-15(12-19(18)29-22)14-32-8-10-34-11-9-32;28-21(15-3-7-29-8-4-15)25-18-12-22-26-19(18)20-23-16-2-1-14(11-17(16)24-20)13-27-5-9-30-10-6-27/h5-8,13-15H,9-12,16H2,1-4H3,(H,28,32)(H,29,30)(H,31,34);3-7,12-14,17H,8-11,15H2,1-2H3,(H,26,30)(H,27,28)(H,29,32);2-7,12-13H,8-11,14H2,1H3,(H,27,31)(H,28,29)(H,30,33);1-2,11-12,15H,3-10,13H2,(H,22,26)(H,23,24)(H,25,28).

What are the key properties of 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide?

1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide has a molecular weight of 1842.10 g/mol, XLogP of 14.34, 25 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-5-[(2-methylpropan-2-yl)oxy]-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide is sourced from PubChem (CID 162025906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).