3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2,5-dimethylphenyl)-2-methylbenzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-pyridin-4-ylpropan-1-one

C118H103Cl4N11O5 — CID 158031321

About 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2,5-dimethylphenyl)-2-methylbenzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-pyridin-4-ylpropan-1-one

3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2,5-dimethylphenyl)-2-methylbenzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 158031321) has the molecular formula C118H103Cl4N11O5 and a molecular weight of 1897.01 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2,5-dimethylphenyl)-2-methylbenzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2,5-dimethylphenyl)-2-methylbenzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-pyridin-4-ylpropan-1-one
• PubChem CID: 158031321
• Molecular Formula: C118H103Cl4N11O5
• Molecular Weight: 1897.01 g/mol
• Exact Mass: 1893.69
• IUPAC Name: 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2,5-dimethylphenyl)-2-methylbenzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-pyridin-4-ylpropan-1-one
• SMILES: Cc1cc(C)cc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1ccc(C)c(-n2c(C)nc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccncc4)ccc32)c1.Cc1cccc(C)c1-n1cnc2cc(C(=O)CCc3ccccc3Cl)ccc21
• InChI: InChI=1S/C25H23ClN2O.2C24H21ClN2O.C23H19ClN2O.C22H19N3O/c1-16-8-9-17(2)24(14-16)28-18(3)27-22-15-20(10-12-23(22)28)25(29)13-11-19-6-4-5-7-21(19)26;1-16-6-5-7-17(2)24(16)27-15-26-21-14-19(10-12-22(21)27)23(28)13-11-18-8-3-4-9-20(18)25;1-16-11-17(2)13-20(12-16)27-15-26-22-14-19(7-9-23(22)27)24(28)10-8-18-5-3-4-6-21(18)25;1-16-5-4-7-19(13-16)26-15-25-21-14-18(9-11-22(21)26)23(27)12-10-17-6-2-3-8-20(17)24;1-16-3-2-4-19(13-16)25-15-24-20-14-18(6-7-21(20)25)22(26)8-5-17-9-11-23-12-10-17/h4-10,12,14-15H,11,13H2,1-3H3;3-10,12,14-15H,11,13H2,1-2H3;3-7,9,11-15H,8,10H2,1-2H3;2-9,11,13-15H,10,12H2,1H3;2-4,6-7,9-15H,5,8H2,1H3
• InChIKey: FHEZRDDFHUTYKN-UHFFFAOYSA-N
• XLogP: 28.99
• TPSA: 187.34 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1897.01
LogP ≤ 5	28.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2,5-dimethylphenyl)-2-methylbenzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-pyridin-4-ylpropan-1-one?

The IUPAC name of 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2,5-dimethylphenyl)-2-methylbenzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-pyridin-4-ylpropan-1-one (CID 158031321) is 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2,5-dimethylphenyl)-2-methylbenzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-pyridin-4-ylpropan-1-one.

What is the SMILES notation for 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2,5-dimethylphenyl)-2-methylbenzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-pyridin-4-ylpropan-1-one?

The canonical SMILES for 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2,5-dimethylphenyl)-2-methylbenzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-pyridin-4-ylpropan-1-one is Cc1cc(C)cc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1ccc(C)c(-n2c(C)nc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccccc4Cl)ccc32)c1.Cc1cccc(-n2cnc3cc(C(=O)CCc4ccncc4)ccc32)c1.Cc1cccc(C)c1-n1cnc2cc(C(=O)CCc3ccccc3Cl)ccc21.

What is the InChIKey of 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2,5-dimethylphenyl)-2-methylbenzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-pyridin-4-ylpropan-1-one?

The InChIKey is FHEZRDDFHUTYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O.2C24H21ClN2O.C23H19ClN2O.C22H19N3O/c1-16-8-9-17(2)24(14-16)28-18(3)27-22-15-20(10-12-23(22)28)25(29)13-11-19-6-4-5-7-21(19)26;1-16-6-5-7-17(2)24(16)27-15-26-21-14-19(10-12-22(21)27)23(28)13-11-18-8-3-4-9-20(18)25;1-16-11-17(2)13-20(12-16)27-15-26-22-14-19(7-9-23(22)27)24(28)10-8-18-5-3-4-6-21(18)25;1-16-5-4-7-19(13-16)26-15-25-21-14-18(9-11-22(21)26)23(27)12-10-17-6-2-3-8-20(17)24;1-16-3-2-4-19(13-16)25-15-24-20-14-18(6-7-21(20)25)22(26)8-5-17-9-11-23-12-10-17/h4-10,12,14-15H,11,13H2,1-3H3;3-10,12,14-15H,11,13H2,1-2H3;3-7,9,11-15H,8,10H2,1-2H3;2-9,11,13-15H,10,12H2,1H3;2-4,6-7,9-15H,5,8H2,1H3.

What are the key properties of 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2,5-dimethylphenyl)-2-methylbenzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-pyridin-4-ylpropan-1-one?

3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2,5-dimethylphenyl)-2-methylbenzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 1897.01 g/mol, XLogP of 28.99, 25 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-1-[1-(2,6-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3,5-dimethylphenyl)benzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(2,5-dimethylphenyl)-2-methylbenzimidazol-5-yl]propan-1-one;3-(2-chlorophenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one;1-[1-(3-methylphenyl)benzimidazol-5-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 158031321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).