[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone;1-(3-chlorophenyl)-5-[1-(3,3-dimethylcyclobutyl)ethenyl]benzimidazole;[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrazin-2-ylindol-5-yl)methanone

C105H110Cl2N18O6 — CID 165011167

About [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone;1-(3-chlorophenyl)-5-[1-(3,3-dimethylcyclobutyl)ethenyl]benzimidazole;[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrazin-2-ylindol-5-yl)methanone

[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone;1-(3-chlorophenyl)-5-[1-(3,3-dimethylcyclobutyl)ethenyl]benzimidazole;[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrazin-2-ylindol-5-yl)methanone (PubChem CID 165011167) has the molecular formula C105H110Cl2N18O6 and a molecular weight of 1791.06 g/mol. Its IUPAC name is [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone;1-(3-chlorophenyl)-5-[1-(3,3-dimethylcyclobutyl)ethenyl]benzimidazole;[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrazin-2-ylindol-5-yl)methanone.

Molecular Properties

• Compound Name: [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone;1-(3-chlorophenyl)-5-[1-(3,3-dimethylcyclobutyl)ethenyl]benzimidazole;[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrazin-2-ylindol-5-yl)methanone
• PubChem CID: 165011167
• Molecular Formula: C105H110Cl2N18O6
• Molecular Weight: 1791.06 g/mol
• Exact Mass: 1788.82
• IUPAC Name: [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone;1-(3-chlorophenyl)-5-[1-(3,3-dimethylcyclobutyl)ethenyl]benzimidazole;[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrazin-2-ylindol-5-yl)methanone
• SMILES: C=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)C1CC(C)(C)C1.CCc1nc2cc(C(=O)N3CCC(C)CC3)cnc2n1-c1ccc(OC)cc1.COc1ccc(Cn2cnc(-n3ccc4cc(C(=O)N5CCCCC5)cnc43)c2)cc1.Cc1cn(-c2cnccn2)c2ccc(C(=O)N3CCC(C)CC3)cc12.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCC1
• InChI: InChI=1S/C24H25N5O2.C22H26N4O2.C21H21ClN2.C20H22N4O.C18H16ClN3O/c1-31-21-7-5-18(6-8-21)15-27-16-22(26-17-27)29-12-9-19-13-20(14-25-23(19)29)24(30)28-10-3-2-4-11-28;1-4-20-24-19-13-16(22(27)25-11-9-15(2)10-12-25)14-23-21(19)26(20)17-5-7-18(28-3)8-6-17;1-14(16-11-21(2,3)12-16)15-7-8-20-19(9-15)23-13-24(20)18-6-4-5-17(22)10-18;1-14-5-9-23(10-6-14)20(25)16-3-4-18-17(11-16)15(2)13-24(18)19-12-21-7-8-22-19;19-14-4-3-5-15(11-14)22-12-20-16-10-13(6-7-17(16)22)18(23)21-8-1-2-9-21/h5-9,12-14,16-17H,2-4,10-11,15H2,1H3;5-8,13-15H,4,9-12H2,1-3H3;4-10,13,16H,1,11-12H2,2-3H3;3-4,7-8,11-14H,5-6,9-10H2,1-2H3;3-7,10-12H,1-2,8-9H2
• InChIKey: JSPQVADIPACJGO-UHFFFAOYSA-N
• XLogP: 21.41
• TPSA: 232.40 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1791.06
LogP ≤ 5	21.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone;1-(3-chlorophenyl)-5-[1-(3,3-dimethylcyclobutyl)ethenyl]benzimidazole;[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrazin-2-ylindol-5-yl)methanone?

The IUPAC name of [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone;1-(3-chlorophenyl)-5-[1-(3,3-dimethylcyclobutyl)ethenyl]benzimidazole;[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrazin-2-ylindol-5-yl)methanone (CID 165011167) is [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone;1-(3-chlorophenyl)-5-[1-(3,3-dimethylcyclobutyl)ethenyl]benzimidazole;[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrazin-2-ylindol-5-yl)methanone.

What is the SMILES notation for [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone;1-(3-chlorophenyl)-5-[1-(3,3-dimethylcyclobutyl)ethenyl]benzimidazole;[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrazin-2-ylindol-5-yl)methanone?

The canonical SMILES for [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone;1-(3-chlorophenyl)-5-[1-(3,3-dimethylcyclobutyl)ethenyl]benzimidazole;[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrazin-2-ylindol-5-yl)methanone is C=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)C1CC(C)(C)C1.CCc1nc2cc(C(=O)N3CCC(C)CC3)cnc2n1-c1ccc(OC)cc1.COc1ccc(Cn2cnc(-n3ccc4cc(C(=O)N5CCCCC5)cnc43)c2)cc1.Cc1cn(-c2cnccn2)c2ccc(C(=O)N3CCC(C)CC3)cc12.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCC1.

What is the InChIKey of [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone;1-(3-chlorophenyl)-5-[1-(3,3-dimethylcyclobutyl)ethenyl]benzimidazole;[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrazin-2-ylindol-5-yl)methanone?

The InChIKey is JSPQVADIPACJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2.C22H26N4O2.C21H21ClN2.C20H22N4O.C18H16ClN3O/c1-31-21-7-5-18(6-8-21)15-27-16-22(26-17-27)29-12-9-19-13-20(14-25-23(19)29)24(30)28-10-3-2-4-11-28;1-4-20-24-19-13-16(22(27)25-11-9-15(2)10-12-25)14-23-21(19)26(20)17-5-7-18(28-3)8-6-17;1-14(16-11-21(2,3)12-16)15-7-8-20-19(9-15)23-13-24(20)18-6-4-5-17(22)10-18;1-14-5-9-23(10-6-14)20(25)16-3-4-18-17(11-16)15(2)13-24(18)19-12-21-7-8-22-19;19-14-4-3-5-15(11-14)22-12-20-16-10-13(6-7-17(16)22)18(23)21-8-1-2-9-21/h5-9,12-14,16-17H,2-4,10-11,15H2,1H3;5-8,13-15H,4,9-12H2,1-3H3;4-10,13,16H,1,11-12H2,2-3H3;3-4,7-8,11-14H,5-6,9-10H2,1-2H3;3-7,10-12H,1-2,8-9H2.

What are the key properties of [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone;1-(3-chlorophenyl)-5-[1-(3,3-dimethylcyclobutyl)ethenyl]benzimidazole;[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrazin-2-ylindol-5-yl)methanone?

[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone;1-(3-chlorophenyl)-5-[1-(3,3-dimethylcyclobutyl)ethenyl]benzimidazole;[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrazin-2-ylindol-5-yl)methanone has a molecular weight of 1791.06 g/mol, XLogP of 21.41, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone;1-(3-chlorophenyl)-5-[1-(3,3-dimethylcyclobutyl)ethenyl]benzimidazole;[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrazin-2-ylindol-5-yl)methanone is sourced from PubChem (CID 165011167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).