acetyl acetate;N'-acetyl-2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;4-(2-aminopyrimidin-5-yl)-1-N-tert-butylbenzene-1,2-diamine;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine;hydrazine;methane;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate;methyl 2-formylbenzoate;phosphoryl trichloride

C121H135Cl3N33O13P — CID 158975420

About acetyl acetate;N'-acetyl-2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;4-(2-aminopyrimidin-5-yl)-1-N-tert-butylbenzene-1,2-diamine;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine;hydrazine;methane;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate;methyl 2-formylbenzoate;phosphoryl trichloride

acetyl acetate;N'-acetyl-2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;4-(2-aminopyrimidin-5-yl)-1-N-tert-butylbenzene-1,2-diamine;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine;hydrazine;methane;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate;methyl 2-formylbenzoate;phosphoryl trichloride (PubChem CID 158975420) has the molecular formula C121H135Cl3N33O13P and a molecular weight of 2396.96 g/mol. Its IUPAC name is acetyl acetate;N'-acetyl-2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;4-(2-aminopyrimidin-5-yl)-1-N-tert-butylbenzene-1,2-diamine;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine;hydrazine;methane;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate;methyl 2-formylbenzoate;phosphoryl trichloride.

Molecular Properties

• Compound Name: acetyl acetate;N'-acetyl-2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;4-(2-aminopyrimidin-5-yl)-1-N-tert-butylbenzene-1,2-diamine;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine;hydrazine;methane;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate;methyl 2-formylbenzoate;phosphoryl trichloride
• PubChem CID: 158975420
• Molecular Formula: C121H135Cl3N33O13P
• Molecular Weight: 2396.96 g/mol
• Exact Mass: 2393.97
• IUPAC Name: acetyl acetate;N'-acetyl-2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;4-(2-aminopyrimidin-5-yl)-1-N-tert-butylbenzene-1,2-diamine;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine;hydrazine;methane;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate;methyl 2-formylbenzoate;phosphoryl trichloride
• SMILES: C.CC(=O)NNC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.CC(=O)OC(C)=O.CC(C)(C)Nc1ccc(-c2cnc(N)nc2)cc1N.CC(C)(C)n1c(-c2ccccc2C(=O)NN)nc2cc(-c3cnc(N)nc3)ccc21.COC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.COC(=O)c1ccccc1C=O.Cc1nnc(-c2ccccc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)o1.NN.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C24H25N7O2.C24H23N7O.C23H23N5O2.C22H23N7O.C14H19N5.C9H8O3.C4H6O3.CH4.Cl3OP.H4N2/c1-14(32)29-30-22(33)18-8-6-5-7-17(18)21-28-19-11-15(16-12-26-23(25)27-13-16)9-10-20(19)31(21)24(2,3)4;1-14-29-30-22(32-14)18-8-6-5-7-17(18)21-28-19-11-15(16-12-26-23(25)27-13-16)9-10-20(19)31(21)24(2,3)4;1-23(2,3)28-19-10-9-14(15-12-25-22(24)26-13-15)11-18(19)27-20(28)16-7-5-6-8-17(16)21(29)30-4;1-22(2,3)29-18-9-8-13(14-11-25-21(23)26-12-14)10-17(18)27-19(29)15-6-4-5-7-16(15)20(30)28-24;1-14(2,3)19-12-5-4-9(6-11(12)15)10-7-17-13(16)18-8-10;1-12-9(11)8-5-3-2-4-7(8)6-10;1-3(5)7-4(2)6;;1-5(2,3)4;1-2/h5-13H,1-4H3,(H,29,32)(H,30,33)(H2,25,26,27);5-13H,1-4H3,(H2,25,26,27);5-13H,1-4H3,(H2,24,25,26);4-12H,24H2,1-3H3,(H,28,30)(H2,23,25,26);4-8,19H,15H2,1-3H3,(H2,16,17,18);2-6H,1H3;1-2H3;1H4;;1-2H2
• InChIKey: JOIHWXWDGJQCFS-UHFFFAOYSA-N
• XLogP: 21.69
• TPSA: 702.72 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 43
• Rotatable Bonds: 16
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2396.96
LogP ≤ 5	21.69
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;N'-acetyl-2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;4-(2-aminopyrimidin-5-yl)-1-N-tert-butylbenzene-1,2-diamine;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine;hydrazine;methane;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate;methyl 2-formylbenzoate;phosphoryl trichloride?

The IUPAC name of acetyl acetate;N'-acetyl-2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;4-(2-aminopyrimidin-5-yl)-1-N-tert-butylbenzene-1,2-diamine;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine;hydrazine;methane;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate;methyl 2-formylbenzoate;phosphoryl trichloride (CID 158975420) is acetyl acetate;N'-acetyl-2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;4-(2-aminopyrimidin-5-yl)-1-N-tert-butylbenzene-1,2-diamine;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine;hydrazine;methane;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate;methyl 2-formylbenzoate;phosphoryl trichloride.

What is the SMILES notation for acetyl acetate;N'-acetyl-2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;4-(2-aminopyrimidin-5-yl)-1-N-tert-butylbenzene-1,2-diamine;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine;hydrazine;methane;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate;methyl 2-formylbenzoate;phosphoryl trichloride?

The canonical SMILES for acetyl acetate;N'-acetyl-2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;4-(2-aminopyrimidin-5-yl)-1-N-tert-butylbenzene-1,2-diamine;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine;hydrazine;methane;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate;methyl 2-formylbenzoate;phosphoryl trichloride is C.CC(=O)NNC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.CC(=O)OC(C)=O.CC(C)(C)Nc1ccc(-c2cnc(N)nc2)cc1N.CC(C)(C)n1c(-c2ccccc2C(=O)NN)nc2cc(-c3cnc(N)nc3)ccc21.COC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C.COC(=O)c1ccccc1C=O.Cc1nnc(-c2ccccc2-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)o1.NN.O=P(Cl)(Cl)Cl.

What is the InChIKey of acetyl acetate;N'-acetyl-2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;4-(2-aminopyrimidin-5-yl)-1-N-tert-butylbenzene-1,2-diamine;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine;hydrazine;methane;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate;methyl 2-formylbenzoate;phosphoryl trichloride?

The InChIKey is JOIHWXWDGJQCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2.C24H23N7O.C23H23N5O2.C22H23N7O.C14H19N5.C9H8O3.C4H6O3.CH4.Cl3OP.H4N2/c1-14(32)29-30-22(33)18-8-6-5-7-17(18)21-28-19-11-15(16-12-26-23(25)27-13-16)9-10-20(19)31(21)24(2,3)4;1-14-29-30-22(32-14)18-8-6-5-7-17(18)21-28-19-11-15(16-12-26-23(25)27-13-16)9-10-20(19)31(21)24(2,3)4;1-23(2,3)28-19-10-9-14(15-12-25-22(24)26-13-15)11-18(19)27-20(28)16-7-5-6-8-17(16)21(29)30-4;1-22(2,3)29-18-9-8-13(14-11-25-21(23)26-12-14)10-17(18)27-19(29)15-6-4-5-7-16(15)20(30)28-24;1-14(2,3)19-12-5-4-9(6-11(12)15)10-7-17-13(16)18-8-10;1-12-9(11)8-5-3-2-4-7(8)6-10;1-3(5)7-4(2)6;;1-5(2,3)4;1-2/h5-13H,1-4H3,(H,29,32)(H,30,33)(H2,25,26,27);5-13H,1-4H3,(H2,25,26,27);5-13H,1-4H3,(H2,24,25,26);4-12H,24H2,1-3H3,(H,28,30)(H2,23,25,26);4-8,19H,15H2,1-3H3,(H2,16,17,18);2-6H,1H3;1-2H3;1H4;;1-2H2.

What are the key properties of acetyl acetate;N'-acetyl-2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;4-(2-aminopyrimidin-5-yl)-1-N-tert-butylbenzene-1,2-diamine;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine;hydrazine;methane;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate;methyl 2-formylbenzoate;phosphoryl trichloride?

acetyl acetate;N'-acetyl-2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;4-(2-aminopyrimidin-5-yl)-1-N-tert-butylbenzene-1,2-diamine;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine;hydrazine;methane;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate;methyl 2-formylbenzoate;phosphoryl trichloride has a molecular weight of 2396.96 g/mol, XLogP of 21.69, 16 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl acetate;N'-acetyl-2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;4-(2-aminopyrimidin-5-yl)-1-N-tert-butylbenzene-1,2-diamine;2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;5-[1-tert-butyl-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzimidazol-5-yl]pyrimidin-2-amine;hydrazine;methane;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate;methyl 2-formylbenzoate;phosphoryl trichloride is sourced from PubChem (CID 158975420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).