[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone

C186H169F4N21O15 — CID 173072905

About [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone

[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 173072905) has the molecular formula C186H169F4N21O15 and a molecular weight of 3014.52 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

• Compound Name: [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
• PubChem CID: 173072905
• Molecular Formula: C186H169F4N21O15
• Molecular Weight: 3014.52 g/mol
• Exact Mass: 3012.30
• IUPAC Name: [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
• SMILES: COc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1OC.COc1ccc(-c2ccc(C=O)cc2)c(OC)c1.COc1ccccc1-c1ccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1.O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)C1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1
• InChI: InChI=1S/C27H27N3O3.C26H22F3N3O2.C25H22FN3O2.C24H21N3O2.2C24H21N3O.C21H21N3O.C15H14O3/c1-32-24-12-11-21(17-25(24)33-2)18-7-9-20(10-8-18)27(31)30-15-13-19(14-16-30)26-28-22-5-3-4-6-23(22)29-26;27-26(28,29)34-21-11-9-18(10-12-21)17-5-7-20(8-6-17)25(33)32-15-13-19(14-16-32)24-30-22-3-1-2-4-23(22)31-24;26-19-7-11-21(12-8-19)31-20-9-5-18(6-10-20)25(30)29-15-13-17(14-16-29)24-27-22-3-1-2-4-23(22)28-24;1-29-22-9-5-2-6-19(22)16-10-12-17(13-11-16)24(28)27-14-18(15-27)23-25-20-7-3-4-8-21(20)26-23;28-24(19-14-12-18(13-15-19)17-7-2-1-3-8-17)27-16-6-11-22(27)23-25-20-9-4-5-10-21(20)26-23;28-24(19-12-10-18(11-13-19)17-6-2-1-3-7-17)27-15-14-20(16-27)23-25-21-8-4-5-9-22(21)26-23;25-21(24-14-10-18(11-15-24)20-22-12-13-23-20)19-8-6-17(7-9-19)16-4-2-1-3-5-16;1-17-13-7-8-14(15(9-13)18-2)12-5-3-11(10-16)4-6-12/h3-12,17,19H,13-16H2,1-2H3,(H,28,29);1-12,19H,13-16H2,(H,30,31);1-12,17H,13-16H2,(H,27,28);2-13,18H,14-15H2,1H3,(H,25,26);1-5,7-10,12-15,22H,6,11,16H2,(H,25,26);1-13,20H,14-16H2,(H,25,26);1-9,12-13,18H,10-11,14-15H2,(H,22,23);3-10H,1-2H3/t;;;;22-;;;/m....0.../s1
• InChIKey: QEUGQHGXBZOHTJ-OBFLPZCVSA-N
• XLogP: 38.75
• TPSA: 424.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 30
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3014.52
LogP ≤ 5	38.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?

The IUPAC name of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone (CID 173072905) is [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone.

What is the SMILES notation for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?

The canonical SMILES for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone is COc1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1OC.COc1ccc(-c2ccc(C=O)cc2)c(OC)c1.COc1ccccc1-c1ccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1.O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)C1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1.O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1.

What is the InChIKey of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?

The InChIKey is QEUGQHGXBZOHTJ-OBFLPZCVSA-N. The full InChI is InChI=1S/C27H27N3O3.C26H22F3N3O2.C25H22FN3O2.C24H21N3O2.2C24H21N3O.C21H21N3O.C15H14O3/c1-32-24-12-11-21(17-25(24)33-2)18-7-9-20(10-8-18)27(31)30-15-13-19(14-16-30)26-28-22-5-3-4-6-23(22)29-26;27-26(28,29)34-21-11-9-18(10-12-21)17-5-7-20(8-6-17)25(33)32-15-13-19(14-16-32)24-30-22-3-1-2-4-23(22)31-24;26-19-7-11-21(12-8-19)31-20-9-5-18(6-10-20)25(30)29-15-13-17(14-16-29)24-27-22-3-1-2-4-23(22)28-24;1-29-22-9-5-2-6-19(22)16-10-12-17(13-11-16)24(28)27-14-18(15-27)23-25-20-7-3-4-8-21(20)26-23;28-24(19-14-12-18(13-15-19)17-7-2-1-3-8-17)27-16-6-11-22(27)23-25-20-9-4-5-10-21(20)26-23;28-24(19-12-10-18(11-13-19)17-6-2-1-3-7-17)27-15-14-20(16-27)23-25-21-8-4-5-9-22(21)26-23;25-21(24-14-10-18(11-15-24)20-22-12-13-23-20)19-8-6-17(7-9-19)16-4-2-1-3-5-16;1-17-13-7-8-14(15(9-13)18-2)12-5-3-11(10-16)4-6-12/h3-12,17,19H,13-16H2,1-2H3,(H,28,29);1-12,19H,13-16H2,(H,30,31);1-12,17H,13-16H2,(H,27,28);2-13,18H,14-15H2,1H3,(H,25,26);1-5,7-10,12-15,22H,6,11,16H2,(H,25,26);1-13,20H,14-16H2,(H,25,26);1-9,12-13,18H,10-11,14-15H2,(H,22,23);3-10H,1-2H3/t;;;;22-;;;/m....0.../s1.

What are the key properties of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?

[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 3014.52 g/mol, XLogP of 38.75, 30 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(3,4-dimethoxyphenyl)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(4-fluorophenoxy)phenyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanone;[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;4-(2,4-dimethoxyphenyl)benzaldehyde;[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 173072905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).