(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)benzimidazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone

C118H115F2N27O6 — CID 162007548

About (4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)benzimidazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone

(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)benzimidazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 162007548) has the molecular formula C118H115F2N27O6 and a molecular weight of 2045.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)benzimidazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

• Compound Name: (4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)benzimidazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
• PubChem CID: 162007548
• Molecular Formula: C118H115F2N27O6
• Molecular Weight: 2045.40 g/mol
• Exact Mass: 2043.95
• IUPAC Name: (4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)benzimidazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
• SMILES: C[C@@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(F)cc1.C[C@@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.C[C@@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1C#N.C[C@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(F)cc1.Cc1ccccc1OCC(=O)N1C2CCC1C(Cn1cnc3cc(-c4cn[nH]n4)ccc31)C2
• InChI: InChI=1S/C25H26N6O2.C24H22N6O.2C23H22FN5O.C23H23N5O/c1-16-4-2-3-5-24(16)33-14-25(32)31-19-7-9-22(31)18(10-19)13-30-15-26-20-11-17(6-8-23(20)30)21-12-27-29-28-21;1-16-8-17(14-30(16)24(31)21-5-3-2-4-19(21)10-25)13-29-15-26-22-9-18(6-7-23(22)29)20-11-27-28-12-20;2*1-15-8-16(13-29(15)23(30)17-2-5-20(24)6-3-17)12-28-14-25-21-9-18(4-7-22(21)28)19-10-26-27-11-19;1-16-9-17(14-28(16)23(29)18-5-3-2-4-6-18)13-27-15-24-21-10-19(7-8-22(21)27)20-11-25-26-12-20/h2-6,8,11-12,15,18-19,22H,7,9-10,13-14H2,1H3,(H,27,28,29);2-7,9,11-12,15-17H,8,13-14H2,1H3,(H,27,28);2*2-7,9-11,14-16H,8,12-13H2,1H3,(H,26,27);2-8,10-12,15-17H,9,13-14H2,1H3,(H,25,26)/t;16-,17?;2*15-,16?;16-,17?/m.1101/s1
• InChIKey: YTAPLWAMEKWSIA-PPPFMAJKSA-N
• XLogP: 19.65
• TPSA: 379.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2045.40
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)benzimidazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?

The IUPAC name of (4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)benzimidazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone (CID 162007548) is (4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)benzimidazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone.

What is the SMILES notation for (4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)benzimidazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?

The canonical SMILES for (4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)benzimidazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone is C[C@@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(F)cc1.C[C@@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1.C[C@@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1C#N.C[C@H]1CC(Cn2cnc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(F)cc1.Cc1ccccc1OCC(=O)N1C2CCC1C(Cn1cnc3cc(-c4cn[nH]n4)ccc31)C2.

What is the InChIKey of (4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)benzimidazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?

The InChIKey is YTAPLWAMEKWSIA-PPPFMAJKSA-N. The full InChI is InChI=1S/C25H26N6O2.C24H22N6O.2C23H22FN5O.C23H23N5O/c1-16-4-2-3-5-24(16)33-14-25(32)31-19-7-9-22(31)18(10-19)13-30-15-26-20-11-17(6-8-23(20)30)21-12-27-29-28-21;1-16-8-17(14-30(16)24(31)21-5-3-2-4-19(21)10-25)13-29-15-26-22-9-18(6-7-23(22)29)20-11-27-28-12-20;2*1-15-8-16(13-29(15)23(30)17-2-5-20(24)6-3-17)12-28-14-25-21-9-18(4-7-22(21)28)19-10-26-27-11-19;1-16-9-17(14-28(16)23(29)18-5-3-2-4-6-18)13-27-15-24-21-10-19(7-8-22(21)27)20-11-25-26-12-20/h2-6,8,11-12,15,18-19,22H,7,9-10,13-14H2,1H3,(H,27,28,29);2-7,9,11-12,15-17H,8,13-14H2,1H3,(H,27,28);2*2-7,9-11,14-16H,8,12-13H2,1H3,(H,26,27);2-8,10-12,15-17H,9,13-14H2,1H3,(H,25,26)/t;16-,17?;2*15-,16?;16-,17?/m.1101/s1.

What are the key properties of (4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)benzimidazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone?

(4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)benzimidazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 2045.40 g/mol, XLogP of 19.65, 22 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;(4-fluorophenyl)-[(2S)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)benzimidazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile;[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 162007548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).