N-(1H-benzimidazol-2-ylmethyl)-2-[2-(2-methylsulfanylpyrimidin-4-yl)hydrazinyl]pyrimidine-4-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)pyrimidine-5-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(2-benzylhydrazinyl)-N'-phenylpyrimidine-4-carbohydrazide;2-(2,2-dibenzylhydrazinyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;2-[2-(1H-indole-2-carbonyl)pyrazolidin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C123H117F3N38O7S — CID 162080621

About N-(1H-benzimidazol-2-ylmethyl)-2-[2-(2-methylsulfanylpyrimidin-4-yl)hydrazinyl]pyrimidine-4-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)pyrimidine-5-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(2-benzylhydrazinyl)-N'-phenylpyrimidine-4-carbohydrazide;2-(2,2-dibenzylhydrazinyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;2-[2-(1H-indole-2-carbonyl)pyrazolidin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-2-[2-(2-methylsulfanylpyrimidin-4-yl)hydrazinyl]pyrimidine-4-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)pyrimidine-5-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(2-benzylhydrazinyl)-N'-phenylpyrimidine-4-carbohydrazide;2-(2,2-dibenzylhydrazinyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;2-[2-(1H-indole-2-carbonyl)pyrazolidin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 162080621) has the molecular formula C123H117F3N38O7S and a molecular weight of 2328.61 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-[2-(2-methylsulfanylpyrimidin-4-yl)hydrazinyl]pyrimidine-4-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)pyrimidine-5-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(2-benzylhydrazinyl)-N'-phenylpyrimidine-4-carbohydrazide;2-(2,2-dibenzylhydrazinyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;2-[2-(1H-indole-2-carbonyl)pyrazolidin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(1H-benzimidazol-2-ylmethyl)-2-[2-(2-methylsulfanylpyrimidin-4-yl)hydrazinyl]pyrimidine-4-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)pyrimidine-5-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(2-benzylhydrazinyl)-N'-phenylpyrimidine-4-carbohydrazide;2-(2,2-dibenzylhydrazinyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;2-[2-(1H-indole-2-carbonyl)pyrazolidin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
• PubChem CID: 162080621
• Molecular Formula: C123H117F3N38O7S
• Molecular Weight: 2328.61 g/mol
• Exact Mass: 2326.96
• IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-[2-(2-methylsulfanylpyrimidin-4-yl)hydrazinyl]pyrimidine-4-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)pyrimidine-5-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(2-benzylhydrazinyl)-N'-phenylpyrimidine-4-carbohydrazide;2-(2,2-dibenzylhydrazinyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;2-[2-(1H-indole-2-carbonyl)pyrazolidin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
• SMILES: CSc1nccc(NNc2nccc(C(=O)NCc3nc4ccccc4[nH]3)n2)n1.O=C(NCc1ccccc1)c1cnc(NNCc2ccccc2)nc1.O=C(NCc1ccccc1)c1cnc(NNCc2ccccc2)nc1C(F)(F)F.O=C(NCc1ccccn1)c1ccnc(N2CCCN2C(=O)c2cc3ccccc3[nH]2)n1.O=C(NCc1ccccn1)c1ccnc(NN(Cc2ccccc2)Cc2ccccc2)n1.O=C(NNc1ccccc1)c1ccnc(NNCc2ccccc2)n1
• InChI: InChI=1S/C25H24N6O.C23H21N7O2.C20H18F3N5O.C19H19N5O.C18H17N9OS.C18H18N6O/c32-24(28-17-22-13-7-8-15-26-22)23-14-16-27-25(29-23)30-31(18-20-9-3-1-4-10-20)19-21-11-5-2-6-12-21;31-21(26-15-17-7-3-4-10-24-17)19-9-11-25-23(28-19)30-13-5-12-29(30)22(32)20-14-16-6-1-2-8-18(16)27-20;21-20(22,23)17-16(18(29)24-11-14-7-3-1-4-8-14)13-25-19(27-17)28-26-12-15-9-5-2-6-10-15;25-18(20-11-15-7-3-1-4-8-15)17-13-21-19(22-14-17)24-23-12-16-9-5-2-6-10-16;1-29-18-20-9-7-14(25-18)26-27-17-19-8-6-13(24-17)16(28)21-10-15-22-11-4-2-3-5-12(11)23-15;25-17(23-22-15-9-5-2-6-10-15)16-11-12-19-18(21-16)24-20-13-14-7-3-1-4-8-14/h1-16H,17-19H2,(H,28,32)(H,27,29,30);1-4,6-11,14,27H,5,12-13,15H2,(H,26,31);1-10,13,26H,11-12H2,(H,24,29)(H,25,27,28);1-10,13-14,23H,11-12H2,(H,20,25)(H,21,22,24);2-9H,10H2,1H3,(H,21,28)(H,22,23)(H,19,24,27)(H,20,25,26);1-12,20,22H,13H2,(H,23,25)(H,19,21,24)
• InChIKey: ZCHGWSHXQOEMCJ-UHFFFAOYSA-N
• XLogP: 17.03
• TPSA: 572.40 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 37
• Rotatable Bonds: 42
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2328.61
LogP ≤ 5	17.03
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[2-(2-methylsulfanylpyrimidin-4-yl)hydrazinyl]pyrimidine-4-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)pyrimidine-5-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(2-benzylhydrazinyl)-N'-phenylpyrimidine-4-carbohydrazide;2-(2,2-dibenzylhydrazinyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;2-[2-(1H-indole-2-carbonyl)pyrazolidin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?

The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[2-(2-methylsulfanylpyrimidin-4-yl)hydrazinyl]pyrimidine-4-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)pyrimidine-5-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(2-benzylhydrazinyl)-N'-phenylpyrimidine-4-carbohydrazide;2-(2,2-dibenzylhydrazinyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;2-[2-(1H-indole-2-carbonyl)pyrazolidin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 162080621) is N-(1H-benzimidazol-2-ylmethyl)-2-[2-(2-methylsulfanylpyrimidin-4-yl)hydrazinyl]pyrimidine-4-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)pyrimidine-5-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(2-benzylhydrazinyl)-N'-phenylpyrimidine-4-carbohydrazide;2-(2,2-dibenzylhydrazinyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;2-[2-(1H-indole-2-carbonyl)pyrazolidin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-[2-(2-methylsulfanylpyrimidin-4-yl)hydrazinyl]pyrimidine-4-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)pyrimidine-5-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(2-benzylhydrazinyl)-N'-phenylpyrimidine-4-carbohydrazide;2-(2,2-dibenzylhydrazinyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;2-[2-(1H-indole-2-carbonyl)pyrazolidin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?

The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-[2-(2-methylsulfanylpyrimidin-4-yl)hydrazinyl]pyrimidine-4-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)pyrimidine-5-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(2-benzylhydrazinyl)-N'-phenylpyrimidine-4-carbohydrazide;2-(2,2-dibenzylhydrazinyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;2-[2-(1H-indole-2-carbonyl)pyrazolidin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is CSc1nccc(NNc2nccc(C(=O)NCc3nc4ccccc4[nH]3)n2)n1.O=C(NCc1ccccc1)c1cnc(NNCc2ccccc2)nc1.O=C(NCc1ccccc1)c1cnc(NNCc2ccccc2)nc1C(F)(F)F.O=C(NCc1ccccn1)c1ccnc(N2CCCN2C(=O)c2cc3ccccc3[nH]2)n1.O=C(NCc1ccccn1)c1ccnc(NN(Cc2ccccc2)Cc2ccccc2)n1.O=C(NNc1ccccc1)c1ccnc(NNCc2ccccc2)n1.

What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-[2-(2-methylsulfanylpyrimidin-4-yl)hydrazinyl]pyrimidine-4-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)pyrimidine-5-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(2-benzylhydrazinyl)-N'-phenylpyrimidine-4-carbohydrazide;2-(2,2-dibenzylhydrazinyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;2-[2-(1H-indole-2-carbonyl)pyrazolidin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?

The InChIKey is ZCHGWSHXQOEMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O.C23H21N7O2.C20H18F3N5O.C19H19N5O.C18H17N9OS.C18H18N6O/c32-24(28-17-22-13-7-8-15-26-22)23-14-16-27-25(29-23)30-31(18-20-9-3-1-4-10-20)19-21-11-5-2-6-12-21;31-21(26-15-17-7-3-4-10-24-17)19-9-11-25-23(28-19)30-13-5-12-29(30)22(32)20-14-16-6-1-2-8-18(16)27-20;21-20(22,23)17-16(18(29)24-11-14-7-3-1-4-8-14)13-25-19(27-17)28-26-12-15-9-5-2-6-10-15;25-18(20-11-15-7-3-1-4-8-15)17-13-21-19(22-14-17)24-23-12-16-9-5-2-6-10-16;1-29-18-20-9-7-14(25-18)26-27-17-19-8-6-13(24-17)16(28)21-10-15-22-11-4-2-3-5-12(11)23-15;25-17(23-22-15-9-5-2-6-10-15)16-11-12-19-18(21-16)24-20-13-14-7-3-1-4-8-14/h1-16H,17-19H2,(H,28,32)(H,27,29,30);1-4,6-11,14,27H,5,12-13,15H2,(H,26,31);1-10,13,26H,11-12H2,(H,24,29)(H,25,27,28);1-10,13-14,23H,11-12H2,(H,20,25)(H,21,22,24);2-9H,10H2,1H3,(H,21,28)(H,22,23)(H,19,24,27)(H,20,25,26);1-12,20,22H,13H2,(H,23,25)(H,19,21,24).

What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-[2-(2-methylsulfanylpyrimidin-4-yl)hydrazinyl]pyrimidine-4-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)pyrimidine-5-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(2-benzylhydrazinyl)-N'-phenylpyrimidine-4-carbohydrazide;2-(2,2-dibenzylhydrazinyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;2-[2-(1H-indole-2-carbonyl)pyrazolidin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?

N-(1H-benzimidazol-2-ylmethyl)-2-[2-(2-methylsulfanylpyrimidin-4-yl)hydrazinyl]pyrimidine-4-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)pyrimidine-5-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(2-benzylhydrazinyl)-N'-phenylpyrimidine-4-carbohydrazide;2-(2,2-dibenzylhydrazinyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;2-[2-(1H-indole-2-carbonyl)pyrazolidin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 2328.61 g/mol, XLogP of 17.03, 42 rotatable bonds, 18 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-benzimidazol-2-ylmethyl)-2-[2-(2-methylsulfanylpyrimidin-4-yl)hydrazinyl]pyrimidine-4-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)pyrimidine-5-carboxamide;N-benzyl-2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide;2-(2-benzylhydrazinyl)-N'-phenylpyrimidine-4-carbohydrazide;2-(2,2-dibenzylhydrazinyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;2-[2-(1H-indole-2-carbonyl)pyrazolidin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 162080621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).