[1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

C118H119Cl4N21O9 — CID 167627077

About [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

[1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (PubChem CID 167627077) has the molecular formula C118H119Cl4N21O9 and a molecular weight of 2117.20 g/mol. Its IUPAC name is [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
• PubChem CID: 167627077
• Molecular Formula: C118H119Cl4N21O9
• Molecular Weight: 2117.20 g/mol
• Exact Mass: 2113.83
• IUPAC Name: [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
• SMILES: CC(=O)Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.Cc1ccc(-n2ccc3c(Cl)c(C(=O)N4CCC(C)CC4)cnc32)cn1.Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.Cn1cc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.O=C(c1ccc2c(c1)ncn2-c1ccc2c(c1)OCO2)N1CCCCC1.O=C(c1ccn2c(-c3cccc(Cl)c3)cnc2c1)N1CCCCC1
• InChI: InChI=1S/C22H22ClN3O2.C20H21ClN4O.C20H20ClN3O.C20H19N3O3.C19H18ClN3O.C17H19N5O/c1-15(27)12-21-24-19-13-16(22(28)25-10-3-2-4-11-25)8-9-20(19)26(21)18-7-5-6-17(23)14-18;1-13-5-8-24(9-6-13)20(26)17-12-23-19-16(18(17)21)7-10-25(19)15-4-3-14(2)22-11-15;1-14-22-18-12-15(20(25)23-10-3-2-4-11-23)8-9-19(18)24(14)17-7-5-6-16(21)13-17;24-20(22-8-2-1-3-9-22)14-4-6-17-16(10-14)21-12-23(17)15-5-7-18-19(11-15)26-13-25-18;20-16-6-4-5-14(11-16)17-13-21-18-12-15(7-10-23(17)18)19(24)22-8-2-1-3-9-22;1-20-12-15(11-19-20)22-8-5-13-9-14(10-18-16(13)22)17(23)21-6-3-2-4-7-21/h5-9,13-14H,2-4,10-12H2,1H3;3-4,7,10-13H,5-6,8-9H2,1-2H3;5-9,12-13H,2-4,10-11H2,1H3;4-7,10-12H,1-3,8-9,13H2;4-7,10-13H,1-3,8-9H2;5,8-12H,2-4,6-7H2,1H3
• InChIKey: NGLSWOWUANJANP-UHFFFAOYSA-N
• XLogP: 23.35
• TPSA: 294.50 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2117.20
LogP ≤ 5	23.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?

The IUPAC name of [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (CID 167627077) is [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?

The canonical SMILES for [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is CC(=O)Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.Cc1ccc(-n2ccc3c(Cl)c(C(=O)N4CCC(C)CC4)cnc32)cn1.Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.Cn1cc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.O=C(c1ccc2c(c1)ncn2-c1ccc2c(c1)OCO2)N1CCCCC1.O=C(c1ccn2c(-c3cccc(Cl)c3)cnc2c1)N1CCCCC1.

What is the InChIKey of [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?

The InChIKey is NGLSWOWUANJANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2.C20H21ClN4O.C20H20ClN3O.C20H19N3O3.C19H18ClN3O.C17H19N5O/c1-15(27)12-21-24-19-13-16(22(28)25-10-3-2-4-11-25)8-9-20(19)26(21)18-7-5-6-17(23)14-18;1-13-5-8-24(9-6-13)20(26)17-12-23-19-16(18(17)21)7-10-25(19)15-4-3-14(2)22-11-15;1-14-22-18-12-15(20(25)23-10-3-2-4-11-23)8-9-19(18)24(14)17-7-5-6-16(21)13-17;24-20(22-8-2-1-3-9-22)14-4-6-17-16(10-14)21-12-23(17)15-5-7-18-19(11-15)26-13-25-18;20-16-6-4-5-14(11-16)17-13-21-18-12-15(7-10-23(17)18)19(24)22-8-2-1-3-9-22;1-20-12-15(11-19-20)22-8-5-13-9-14(10-18-16(13)22)17(23)21-6-3-2-4-7-21/h5-9,13-14H,2-4,10-12H2,1H3;3-4,7,10-13H,5-6,8-9H2,1-2H3;5-9,12-13H,2-4,10-11H2,1H3;4-7,10-12H,1-3,8-9,13H2;4-7,10-13H,1-3,8-9H2;5,8-12H,2-4,6-7H2,1H3.

What are the key properties of [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?

[1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 2117.20 g/mol, XLogP of 23.35, 14 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 167627077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).