1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea

C81H76ClF4N25O11 — CID 160658960

About 1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea

1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea (PubChem CID 160658960) has the molecular formula C81H76ClF4N25O11 and a molecular weight of 1687.11 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea
• PubChem CID: 160658960
• Molecular Formula: C81H76ClF4N25O11
• Molecular Weight: 1687.11 g/mol
• Exact Mass: 1685.58
• IUPAC Name: 1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea
• SMILES: COc1cc2nc(-c3[nH]ncc3NC(=O)NCc3ccc(F)cc3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)Nc3c(F)cccc3F)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)Nc3ccc(Cl)cc3)[nH]c2cc1OC.O=C(NCc1ccc(F)cc1)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
• InChI: InChI=1S/C23H24FN7O2.C20H19FN6O3.C19H17ClN6O3.C19H16F2N6O3/c24-17-4-1-15(2-5-17)12-25-23(32)29-20-13-26-30-21(20)22-27-18-6-3-16(11-19(18)28-22)14-31-7-9-33-10-8-31;1-29-16-7-13-14(8-17(16)30-2)25-19(24-13)18-15(10-23-27-18)26-20(28)22-9-11-3-5-12(21)6-4-11;1-28-15-7-12-13(8-16(15)29-2)24-18(23-12)17-14(9-21-26-17)25-19(27)22-11-5-3-10(20)4-6-11;1-29-14-6-11-12(7-15(14)30-2)24-18(23-11)17-13(8-22-27-17)25-19(28)26-16-9(20)4-3-5-10(16)21/h1-6,11,13H,7-10,12,14H2,(H,26,30)(H,27,28)(H2,25,29,32);3-8,10H,9H2,1-2H3,(H,23,27)(H,24,25)(H2,22,26,28);3-9H,1-2H3,(H,21,26)(H,23,24)(H2,22,25,27);3-8H,1-2H3,(H,22,27)(H,23,24)(H2,25,26,28)
• InChIKey: RLKMAFKLQROIGF-UHFFFAOYSA-N
• XLogP: 14.84
• TPSA: 461.81 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1687.11
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea?

The IUPAC name of 1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea (CID 160658960) is 1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea.

What is the SMILES notation for 1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea?

The canonical SMILES for 1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea is COc1cc2nc(-c3[nH]ncc3NC(=O)NCc3ccc(F)cc3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)Nc3c(F)cccc3F)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)Nc3ccc(Cl)cc3)[nH]c2cc1OC.O=C(NCc1ccc(F)cc1)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.

What is the InChIKey of 1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea?

The InChIKey is RLKMAFKLQROIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2.C20H19FN6O3.C19H17ClN6O3.C19H16F2N6O3/c24-17-4-1-15(2-5-17)12-25-23(32)29-20-13-26-30-21(20)22-27-18-6-3-16(11-19(18)28-22)14-31-7-9-33-10-8-31;1-29-16-7-13-14(8-17(16)30-2)25-19(24-13)18-15(10-23-27-18)26-20(28)22-9-11-3-5-12(21)6-4-11;1-28-15-7-12-13(8-16(15)29-2)24-18(23-12)17-14(9-21-26-17)25-19(27)22-11-5-3-10(20)4-6-11;1-29-14-6-11-12(7-15(14)30-2)24-18(23-11)17-13(8-22-27-17)25-19(28)26-16-9(20)4-3-5-10(16)21/h1-6,11,13H,7-10,12,14H2,(H,26,30)(H,27,28)(H2,25,29,32);3-8,10H,9H2,1-2H3,(H,23,27)(H,24,25)(H2,22,26,28);3-9H,1-2H3,(H,21,26)(H,23,24)(H2,22,25,27);3-8H,1-2H3,(H,22,27)(H,23,24)(H2,25,26,28).

What are the key properties of 1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea?

1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea has a molecular weight of 1687.11 g/mol, XLogP of 14.84, 22 rotatable bonds, 16 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-(2,6-difluorophenyl)-3-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]urea;1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;1-[(4-fluorophenyl)methyl]-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea is sourced from PubChem (CID 160658960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).