2-[4-chloro-3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide

C116H97Cl6N13O13 — CID 158089276

About 2-[4-chloro-3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide

2-[4-chloro-3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide (PubChem CID 158089276) has the molecular formula C116H97Cl6N13O13 and a molecular weight of 2093.85 g/mol. Its IUPAC name is 2-[4-chloro-3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

• Compound Name: 2-[4-chloro-3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide
• PubChem CID: 158089276
• Molecular Formula: C116H97Cl6N13O13
• Molecular Weight: 2093.85 g/mol
• Exact Mass: 2089.55
• IUPAC Name: 2-[4-chloro-3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide
• SMILES: COc1cc(OC)cc(C(=O)Cc2ccc(Cl)c(-c3nc4cc(Cl)c(C)cc4[nH]3)c2)c1.COc1cc(OC)cc(C(=O)Cc2ccc(Cl)c(-c3nc4ncccc4[nH]3)c2)c1.COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4[nH]3)c2)c1.Cc1cc2nc(-c3cc(CC(=O)c4ccc5c(c4)OCCO5)ccc3Cl)[nH]c2cc1C.Cc1cc2nc(-c3cc(CC(=O)c4cccnc4)ccc3Cl)[nH]c2cc1C
• InChI: InChI=1S/C25H21ClN2O3.C24H20Cl2N2O3.C23H20ClN3O3.C22H18ClN3O3.C22H18ClN3O/c1-14-9-20-21(10-15(14)2)28-25(27-20)18-11-16(3-5-19(18)26)12-22(29)17-4-6-23-24(13-17)31-8-7-30-23;1-13-6-21-22(12-20(13)26)28-24(27-21)18-7-14(4-5-19(18)25)8-23(29)15-9-16(30-2)11-17(10-15)31-3;1-13-4-7-20-21(8-13)27-22(26-20)18-11-15(5-6-19(18)24)25-23(28)14-9-16(29-2)12-17(10-14)30-3;1-28-15-10-14(11-16(12-15)29-2)20(27)9-13-5-6-18(23)17(8-13)21-25-19-4-3-7-24-22(19)26-21;1-13-8-19-20(9-14(13)2)26-22(25-19)17-10-15(5-6-18(17)23)11-21(27)16-4-3-7-24-12-16/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,27,28);4-7,9-12H,8H2,1-3H3,(H,27,28);4-12H,1-3H3,(H,25,28)(H,26,27);3-8,10-12H,9H2,1-2H3,(H,24,25,26);3-10,12H,11H2,1-2H3,(H,25,26)
• InChIKey: FNWYYCANUYZXDY-UHFFFAOYSA-N
• XLogP: 27.49
• TPSA: 340.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2093.85
LogP ≤ 5	27.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide?

The IUPAC name of 2-[4-chloro-3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide (CID 158089276) is 2-[4-chloro-3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide.

What is the SMILES notation for 2-[4-chloro-3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide?

The canonical SMILES for 2-[4-chloro-3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Cc2ccc(Cl)c(-c3nc4cc(Cl)c(C)cc4[nH]3)c2)c1.COc1cc(OC)cc(C(=O)Cc2ccc(Cl)c(-c3nc4ncccc4[nH]3)c2)c1.COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4[nH]3)c2)c1.Cc1cc2nc(-c3cc(CC(=O)c4ccc5c(c4)OCCO5)ccc3Cl)[nH]c2cc1C.Cc1cc2nc(-c3cc(CC(=O)c4cccnc4)ccc3Cl)[nH]c2cc1C.

What is the InChIKey of 2-[4-chloro-3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide?

The InChIKey is FNWYYCANUYZXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3.C24H20Cl2N2O3.C23H20ClN3O3.C22H18ClN3O3.C22H18ClN3O/c1-14-9-20-21(10-15(14)2)28-25(27-20)18-11-16(3-5-19(18)26)12-22(29)17-4-6-23-24(13-17)31-8-7-30-23;1-13-6-21-22(12-20(13)26)28-24(27-21)18-7-14(4-5-19(18)25)8-23(29)15-9-16(30-2)11-17(10-15)31-3;1-13-4-7-20-21(8-13)27-22(26-20)18-11-15(5-6-19(18)24)25-23(28)14-9-16(29-2)12-17(10-14)30-3;1-28-15-10-14(11-16(12-15)29-2)20(27)9-13-5-6-18(23)17(8-13)21-25-19-4-3-7-24-22(19)26-21;1-13-8-19-20(9-14(13)2)26-22(25-19)17-10-15(5-6-18(17)23)11-21(27)16-4-3-7-24-12-16/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,27,28);4-7,9-12H,8H2,1-3H3,(H,27,28);4-12H,1-3H3,(H,25,28)(H,26,27);3-8,10-12H,9H2,1-2H3,(H,24,25,26);3-10,12H,11H2,1-2H3,(H,25,26).

What are the key properties of 2-[4-chloro-3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide?

2-[4-chloro-3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 2093.85 g/mol, XLogP of 27.49, 25 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone;2-[4-chloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-(3,5-dimethoxyphenyl)ethanone;N-[4-chloro-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 158089276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).