3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-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]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide

C100H98ClN29O9 — CID 158029425

About 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-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]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide

3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-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]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide (PubChem CID 158029425) has the molecular formula C100H98ClN29O9 and a molecular weight of 1885.53 g/mol. Its IUPAC name is 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-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]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide.

Molecular Properties

• Compound Name: 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-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]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide
• PubChem CID: 158029425
• Molecular Formula: C100H98ClN29O9
• Molecular Weight: 1885.53 g/mol
• Exact Mass: 1883.78
• IUPAC Name: 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-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]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide
• SMILES: COc1ccc(Cl)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc(-c2ccccc2)c1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cn2ccnc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncccc1NCc1ccccc1
• InChI: InChI=1S/C28H28N8O2.C28H26N6O2.C23H23ClN6O3.C21H21N9O2/c37-28(26-22(7-4-10-29-26)30-16-19-5-2-1-3-6-19)34-24-17-31-35-25(24)27-32-21-9-8-20(15-23(21)33-27)18-36-11-13-38-14-12-36;35-28(22-8-4-7-21(16-22)20-5-2-1-3-6-20)32-25-17-29-33-26(25)27-30-23-10-9-19(15-24(23)31-27)18-34-11-13-36-14-12-34;1-32-20-5-3-15(24)11-16(20)23(31)28-19-12-25-29-21(19)22-26-17-4-2-14(10-18(17)27-22)13-30-6-8-33-9-7-30;31-20(17-12-30-4-3-22-21(30)27-17)26-16-10-23-28-18(16)19-24-14-2-1-13(9-15(14)25-19)11-29-5-7-32-8-6-29/h1-10,15,17,30H,11-14,16,18H2,(H,31,35)(H,32,33)(H,34,37);1-10,15-17H,11-14,18H2,(H,29,33)(H,30,31)(H,32,35);2-5,10-12H,6-9,13H2,1H3,(H,25,29)(H,26,27)(H,28,31);1-4,9-10,12H,5-8,11H2,(H,22,27)(H,23,28)(H,24,25)(H,26,31)
• InChIKey: FGZQHZICFYKXIG-UHFFFAOYSA-N
• XLogP: 14.46
• TPSA: 462.96 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1885.53
LogP ≤ 5	14.46
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-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]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide?

The IUPAC name of 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-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]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide (CID 158029425) is 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-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]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide.

What is the SMILES notation for 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-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]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide?

The canonical SMILES for 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-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]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide is COc1ccc(Cl)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccc(-c2ccccc2)c1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cn2ccnc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncccc1NCc1ccccc1.

What is the InChIKey of 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-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]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide?

The InChIKey is FGZQHZICFYKXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8O2.C28H26N6O2.C23H23ClN6O3.C21H21N9O2/c37-28(26-22(7-4-10-29-26)30-16-19-5-2-1-3-6-19)34-24-17-31-35-25(24)27-32-21-9-8-20(15-23(21)33-27)18-36-11-13-38-14-12-36;35-28(22-8-4-7-21(16-22)20-5-2-1-3-6-20)32-25-17-29-33-26(25)27-30-23-10-9-19(15-24(23)31-27)18-34-11-13-36-14-12-34;1-32-20-5-3-15(24)11-16(20)23(31)28-19-12-25-29-21(19)22-26-17-4-2-14(10-18(17)27-22)13-30-6-8-33-9-7-30;31-20(17-12-30-4-3-22-21(30)27-17)26-16-10-23-28-18(16)19-24-14-2-1-13(9-15(14)25-19)11-29-5-7-32-8-6-29/h1-10,15,17,30H,11-14,16,18H2,(H,31,35)(H,32,33)(H,34,37);1-10,15-17H,11-14,18H2,(H,29,33)(H,30,31)(H,32,35);2-5,10-12H,6-9,13H2,1H3,(H,25,29)(H,26,27)(H,28,31);1-4,9-10,12H,5-8,11H2,(H,22,27)(H,23,28)(H,24,25)(H,26,31).

What are the key properties of 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-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]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide?

3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-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]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide has a molecular weight of 1885.53 g/mol, XLogP of 14.46, 25 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;5-chloro-2-methoxy-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]-7H-imidazo[1,2-a]imidazole-6-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylbenzamide is sourced from PubChem (CID 158029425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).