2-chloro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;4-methoxy-2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C96H93ClN24O15 — CID 162260221

About 2-chloro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;4-methoxy-2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

2-chloro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;4-methoxy-2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 162260221) has the molecular formula C96H93ClN24O15 and a molecular weight of 1858.41 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;4-methoxy-2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;4-methoxy-2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
• PubChem CID: 162260221
• Molecular Formula: C96H93ClN24O15
• Molecular Weight: 1858.41 g/mol
• Exact Mass: 1856.69
• IUPAC Name: 2-chloro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;4-methoxy-2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
• SMILES: COc1cc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(C(=O)N4CCOCC4)cc3[nH]2)c(C)c1.Cc1cccc(C)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(C(=O)N3CCOCC3)cc2[nH]1.Cc1cccc(Cl)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(C(=O)N3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(C(=O)N3CCOCC3)cc2[nH]1)c1cccc2c1OCCO2
• InChI: InChI=1S/C25H26N6O4.C24H22N6O5.C24H24N6O3.C23H21ClN6O3/c1-14-10-17(34-3)11-15(2)21(14)24(32)29-20-13-26-30-22(20)23-27-18-5-4-16(12-19(18)28-23)25(33)31-6-8-35-9-7-31;31-23(15-2-1-3-19-21(15)35-11-10-34-19)28-18-13-25-29-20(18)22-26-16-5-4-14(12-17(16)27-22)24(32)30-6-8-33-9-7-30;1-14-4-3-5-15(2)20(14)23(31)28-19-13-25-29-21(19)22-26-17-7-6-16(12-18(17)27-22)24(32)30-8-10-33-11-9-30;1-13-3-2-4-15(24)19(13)22(31)28-18-12-25-29-20(18)21-26-16-6-5-14(11-17(16)27-21)23(32)30-7-9-33-10-8-30/h4-5,10-13H,6-9H2,1-3H3,(H,26,30)(H,27,28)(H,29,32);1-5,12-13H,6-11H2,(H,25,29)(H,26,27)(H,28,31);3-7,12-13H,8-11H2,1-2H3,(H,25,29)(H,26,27)(H,28,31);2-6,11-12H,7-10H2,1H3,(H,25,29)(H,26,27)(H,28,31)
• InChIKey: ZZDMSASRXOSZSR-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 491.69 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1858.41
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;4-methoxy-2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?

The IUPAC name of 2-chloro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;4-methoxy-2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 162260221) is 2-chloro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;4-methoxy-2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

What is the SMILES notation for 2-chloro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;4-methoxy-2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?

The canonical SMILES for 2-chloro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;4-methoxy-2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is COc1cc(C)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(C(=O)N4CCOCC4)cc3[nH]2)c(C)c1.Cc1cccc(C)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(C(=O)N3CCOCC3)cc2[nH]1.Cc1cccc(Cl)c1C(=O)Nc1cn[nH]c1-c1nc2ccc(C(=O)N3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(C(=O)N3CCOCC3)cc2[nH]1)c1cccc2c1OCCO2.

What is the InChIKey of 2-chloro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;4-methoxy-2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?

The InChIKey is ZZDMSASRXOSZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4.C24H22N6O5.C24H24N6O3.C23H21ClN6O3/c1-14-10-17(34-3)11-15(2)21(14)24(32)29-20-13-26-30-22(20)23-27-18-5-4-16(12-19(18)28-23)25(33)31-6-8-35-9-7-31;31-23(15-2-1-3-19-21(15)35-11-10-34-19)28-18-13-25-29-20(18)22-26-16-5-4-14(12-17(16)27-22)24(32)30-6-8-33-9-7-30;1-14-4-3-5-15(2)20(14)23(31)28-19-13-25-29-21(19)22-26-17-7-6-16(12-18(17)27-22)24(32)30-8-10-33-11-9-30;1-13-3-2-4-15(24)19(13)22(31)28-18-12-25-29-20(18)21-26-16-6-5-14(11-17(16)27-21)23(32)30-7-9-33-10-8-30/h4-5,10-13H,6-9H2,1-3H3,(H,26,30)(H,27,28)(H,29,32);1-5,12-13H,6-11H2,(H,25,29)(H,26,27)(H,28,31);3-7,12-13H,8-11H2,1-2H3,(H,25,29)(H,26,27)(H,28,31);2-6,11-12H,7-10H2,1H3,(H,25,29)(H,26,27)(H,28,31).

What are the key properties of 2-chloro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;4-methoxy-2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?

2-chloro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;4-methoxy-2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 1858.41 g/mol, XLogP of 12.69, 17 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;4-methoxy-2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 162260221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).