2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;6-[4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 3-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate

C145H150F5N29O13 — CID 167559546

About 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;6-[4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 3-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate

2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;6-[4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 3-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 167559546) has the molecular formula C145H150F5N29O13 and a molecular weight of 2601.97 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;6-[4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 3-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;6-[4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 3-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate
• PubChem CID: 167559546
• Molecular Formula: C145H150F5N29O13
• Molecular Weight: 2601.97 g/mol
• Exact Mass: 2600.19
• IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;6-[4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 3-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate
• SMILES: CC(C)(O)OC(=O)N1CCC(Cc2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)C1.O=C(C1CCOC1)N1CCC(Cc2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)CC1.O=C(c1cccc(=O)[nH]1)N1CCC(Cc2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)CC1.O=C(c1cnccn1)N1CCC(Cc2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)CC1.O=c1c(CCc2ccc(F)cc2)c(CC2CCN(Cc3ccccn3)CC2)[nH]n1-c1nc2ccccc2[nH]1
• InChI: InChI=1S/C30H29FN6O3.C30H31FN6O.C29H28FN7O2.C29H32FN5O3.C27H30FN5O4/c31-21-11-8-19(9-12-21)10-13-22-26(35-37(28(22)39)30-33-23-4-1-2-5-24(23)34-30)18-20-14-16-36(17-15-20)29(40)25-6-3-7-27(38)32-25;31-23-11-8-21(9-12-23)10-13-25-28(19-22-14-17-36(18-15-22)20-24-5-3-4-16-32-24)35-37(29(25)38)30-33-26-6-1-2-7-27(26)34-30;30-21-8-5-19(6-9-21)7-10-22-25(35-37(27(22)38)29-33-23-3-1-2-4-24(23)34-29)17-20-11-15-36(16-12-20)28(39)26-18-31-13-14-32-26;30-22-8-5-19(6-9-22)7-10-23-26(17-20-11-14-34(15-12-20)27(36)21-13-16-38-18-21)33-35(28(23)37)29-31-24-3-1-2-4-25(24)32-29;1-27(2,36)37-26(35)32-14-13-18(16-32)15-23-20(12-9-17-7-10-19(28)11-8-17)24(34)33(31-23)25-29-21-5-3-4-6-22(21)30-25/h1-9,11-12,20,35H,10,13-18H2,(H,32,38)(H,33,34);1-9,11-12,16,22,35H,10,13-15,17-20H2,(H,33,34);1-6,8-9,13-14,18,20,35H,7,10-12,15-17H2,(H,33,34);1-6,8-9,20-21,33H,7,10-18H2,(H,31,32);3-8,10-11,18,31,36H,9,12-16H2,1-2H3,(H,29,30)
• InChIKey: UZZVZBKNIRAHJW-UHFFFAOYSA-N
• XLogP: 19.90
• TPSA: 527.05 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 36
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2601.97
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;6-[4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 3-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate?

The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;6-[4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 3-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate (CID 167559546) is 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;6-[4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 3-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate.

What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;6-[4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 3-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate?

The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;6-[4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 3-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate is CC(C)(O)OC(=O)N1CCC(Cc2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)C1.O=C(C1CCOC1)N1CCC(Cc2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)CC1.O=C(c1cccc(=O)[nH]1)N1CCC(Cc2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)CC1.O=C(c1cnccn1)N1CCC(Cc2[nH]n(-c3nc4ccccc4[nH]3)c(=O)c2CCc2ccc(F)cc2)CC1.O=c1c(CCc2ccc(F)cc2)c(CC2CCN(Cc3ccccn3)CC2)[nH]n1-c1nc2ccccc2[nH]1.

What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;6-[4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 3-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate?

The InChIKey is UZZVZBKNIRAHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN6O3.C30H31FN6O.C29H28FN7O2.C29H32FN5O3.C27H30FN5O4/c31-21-11-8-19(9-12-21)10-13-22-26(35-37(28(22)39)30-33-23-4-1-2-5-24(23)34-30)18-20-14-16-36(17-15-20)29(40)25-6-3-7-27(38)32-25;31-23-11-8-21(9-12-23)10-13-25-28(19-22-14-17-36(18-15-22)20-24-5-3-4-16-32-24)35-37(29(25)38)30-33-26-6-1-2-7-27(26)34-30;30-21-8-5-19(6-9-21)7-10-22-25(35-37(27(22)38)29-33-23-3-1-2-4-24(23)34-29)17-20-11-15-36(16-12-20)28(39)26-18-31-13-14-32-26;30-22-8-5-19(6-9-22)7-10-23-26(17-20-11-14-34(15-12-20)27(36)21-13-16-38-18-21)33-35(28(23)37)29-31-24-3-1-2-4-25(24)32-29;1-27(2,36)37-26(35)32-14-13-18(16-32)15-23-20(12-9-17-7-10-19(28)11-8-17)24(34)33(31-23)25-29-21-5-3-4-6-22(21)30-25/h1-9,11-12,20,35H,10,13-18H2,(H,32,38)(H,33,34);1-9,11-12,16,22,35H,10,13-15,17-20H2,(H,33,34);1-6,8-9,13-14,18,20,35H,7,10-12,15-17H2,(H,33,34);1-6,8-9,20-21,33H,7,10-18H2,(H,31,32);3-8,10-11,18,31,36H,9,12-16H2,1-2H3,(H,29,30).

What are the key properties of 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;6-[4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 3-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate?

2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;6-[4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 3-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 2601.97 g/mol, XLogP of 19.90, 36 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;6-[4-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]piperidine-1-carbonyl]-1H-pyridin-2-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrazol-3-one;2-hydroxypropan-2-yl 3-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 167559546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).