1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine

C92H100F2N30O24 — CID 157476368

About 1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine

1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine (PubChem CID 157476368) has the molecular formula C92H100F2N30O24 and a molecular weight of 2047.99 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine.

Molecular Properties

• Compound Name: 1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine
• PubChem CID: 157476368
• Molecular Formula: C92H100F2N30O24
• Molecular Weight: 2047.99 g/mol
• Exact Mass: 2046.75
• IUPAC Name: 1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine
• SMILES: Nc1ccc(CN2CCOCC2)cc1N.Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1c(F)cccc1F.O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1.O=C(c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)N1CCOCC1.O=[N+]([O-])c1ccc(CN2CCOCC2)cc1[N+](=O)[O-].O=[N+]([O-])c1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
• InChI: InChI=1S/C22H21F2N7O2.C15H16N6O3.C15H18N6O.C11H11N3O6.C11H13N3O5.C11H17N3O.C7H4N2O6/c23-14-2-1-3-15(24)19(14)29-22(32)28-18-11-25-30-20(18)21-26-16-5-4-13(10-17(16)27-21)12-31-6-8-33-9-7-31;22-21(23)13-8-16-19-14(13)15-17-11-2-1-10(7-12(11)18-15)9-20-3-5-24-6-4-20;16-11-8-17-20-14(11)15-18-12-2-1-10(7-13(12)19-15)9-21-3-5-22-6-4-21;15-11(12-3-5-20-6-4-12)8-1-2-9(13(16)17)10(7-8)14(18)19;15-13(16)10-2-1-9(7-11(10)14(17)18)8-12-3-5-19-6-4-12;12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-5,10-11H,6-9,12H2,(H,25,30)(H,26,27)(H2,28,29,32);1-2,7-8H,3-6,9H2,(H,16,19)(H,17,18);1-2,7-8H,3-6,9,16H2,(H,17,20)(H,18,19);1-2,7H,3-6H2;1-2,7H,3-6,8H2;1-2,7H,3-6,8,12-13H2;1-3H,(H,10,11)
• InChIKey: BVQFGMMAIWLOEW-UHFFFAOYSA-N
• XLogP: 10.96
• TPSA: 722.44 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2047.99
LogP ≤ 5	10.96
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine?

The IUPAC name of 1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine (CID 157476368) is 1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine.

What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine?

The canonical SMILES for 1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine is Nc1ccc(CN2CCOCC2)cc1N.Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1c(F)cccc1F.O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1.O=C(c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)N1CCOCC1.O=[N+]([O-])c1ccc(CN2CCOCC2)cc1[N+](=O)[O-].O=[N+]([O-])c1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.

What is the InChIKey of 1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine?

The InChIKey is BVQFGMMAIWLOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O2.C15H16N6O3.C15H18N6O.C11H11N3O6.C11H13N3O5.C11H17N3O.C7H4N2O6/c23-14-2-1-3-15(24)19(14)29-22(32)28-18-11-25-30-20(18)21-26-16-5-4-13(10-17(16)27-21)12-31-6-8-33-9-7-31;22-21(23)13-8-16-19-14(13)15-17-11-2-1-10(7-12(11)18-15)9-20-3-5-24-6-4-20;16-11-8-17-20-14(11)15-18-12-2-1-10(7-13(12)19-15)9-21-3-5-22-6-4-21;15-11(12-3-5-20-6-4-12)8-1-2-9(13(16)17)10(7-8)14(18)19;15-13(16)10-2-1-9(7-11(10)14(17)18)8-12-3-5-19-6-4-12;12-10-2-1-9(7-11(10)13)8-14-3-5-15-6-4-14;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-5,10-11H,6-9,12H2,(H,25,30)(H,26,27)(H2,28,29,32);1-2,7-8H,3-6,9H2,(H,16,19)(H,17,18);1-2,7-8H,3-6,9,16H2,(H,17,20)(H,18,19);1-2,7H,3-6H2;1-2,7H,3-6,8H2;1-2,7H,3-6,8,12-13H2;1-3H,(H,10,11).

What are the key properties of 1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine?

1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine has a molecular weight of 2047.99 g/mol, XLogP of 10.96, 24 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine is sourced from PubChem (CID 157476368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).