2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-methylphenyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-1-pyridin-3-ylethanone;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-3,5-dimethoxybenzamide

C109H83Cl2N17O9 — CID 157323449

About 2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-methylphenyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-1-pyridin-3-ylethanone;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-3,5-dimethoxybenzamide

2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-methylphenyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-1-pyridin-3-ylethanone;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-3,5-dimethoxybenzamide (PubChem CID 157323449) has the molecular formula C109H83Cl2N17O9 and a molecular weight of 1845.88 g/mol. Its IUPAC name is 2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-methylphenyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-1-pyridin-3-ylethanone;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-3,5-dimethoxybenzamide.

Molecular Properties

• Compound Name: 2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-methylphenyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-1-pyridin-3-ylethanone;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-3,5-dimethoxybenzamide
• PubChem CID: 157323449
• Molecular Formula: C109H83Cl2N17O9
• Molecular Weight: 1845.88 g/mol
• Exact Mass: 1843.59
• IUPAC Name: 2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-methylphenyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-1-pyridin-3-ylethanone;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-3,5-dimethoxybenzamide
• SMILES: Cc1ccc(CC(=O)c2cccnc2)cc1-c1nc2ccccc2[nH]1.Cc1ccccc1C(=O)Cc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1.O=C(Cc1ccc(Cl)c(-c2nc3ccncc3[nH]2)c1)c1cccnc1.[C-]#[N+]c1ccc2nc(-c3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3C)[nH]c2c1.[C-]#[N+]c1ccc2nc(-c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3C)[nH]c2c1
• InChI: InChI=1S/C24H20N4O3.C23H16N4O3.C22H17ClN2O.C21H17N3O.C19H13ClN4O/c1-14-5-6-17(26-24(29)15-9-18(30-3)13-19(10-15)31-4)11-20(14)23-27-21-8-7-16(25-2)12-22(21)28-23;1-13-3-5-16(25-23(28)14-4-8-20-21(9-14)30-12-29-20)10-17(13)22-26-18-7-6-15(24-2)11-19(18)27-22;1-14-6-2-3-7-16(14)21(26)13-15-10-11-18(23)17(12-15)22-24-19-8-4-5-9-20(19)25-22;1-14-8-9-15(12-20(25)16-5-4-10-22-13-16)11-17(14)21-23-18-6-2-3-7-19(18)24-21;20-15-4-3-12(9-18(25)13-2-1-6-21-10-13)8-14(15)19-23-16-5-7-22-11-17(16)24-19/h5-13H,1,3-4H3,(H,26,29)(H,27,28);3-11H,12H2,1H3,(H,25,28)(H,26,27);2-12H,13H2,1H3,(H,24,25);2-11,13H,12H2,1H3,(H,23,24);1-8,10-11H,9H2,(H,23,24)
• InChIKey: BELCUCQLDFNFLR-UHFFFAOYSA-N
• XLogP: 24.50
• TPSA: 337.12 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1845.88
LogP ≤ 5	24.50
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-methylphenyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-1-pyridin-3-ylethanone;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-3,5-dimethoxybenzamide?

The IUPAC name of 2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-methylphenyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-1-pyridin-3-ylethanone;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-3,5-dimethoxybenzamide (CID 157323449) is 2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-methylphenyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-1-pyridin-3-ylethanone;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-3,5-dimethoxybenzamide.

What is the SMILES notation for 2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-methylphenyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-1-pyridin-3-ylethanone;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-3,5-dimethoxybenzamide?

The canonical SMILES for 2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-methylphenyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-1-pyridin-3-ylethanone;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-3,5-dimethoxybenzamide is Cc1ccc(CC(=O)c2cccnc2)cc1-c1nc2ccccc2[nH]1.Cc1ccccc1C(=O)Cc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1.O=C(Cc1ccc(Cl)c(-c2nc3ccncc3[nH]2)c1)c1cccnc1.[C-]#[N+]c1ccc2nc(-c3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3C)[nH]c2c1.[C-]#[N+]c1ccc2nc(-c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3C)[nH]c2c1.

What is the InChIKey of 2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-methylphenyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-1-pyridin-3-ylethanone;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-3,5-dimethoxybenzamide?

The InChIKey is BELCUCQLDFNFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3.C23H16N4O3.C22H17ClN2O.C21H17N3O.C19H13ClN4O/c1-14-5-6-17(26-24(29)15-9-18(30-3)13-19(10-15)31-4)11-20(14)23-27-21-8-7-16(25-2)12-22(21)28-23;1-13-3-5-16(25-23(28)14-4-8-20-21(9-14)30-12-29-20)10-17(13)22-26-18-7-6-15(24-2)11-19(18)27-22;1-14-6-2-3-7-16(14)21(26)13-15-10-11-18(23)17(12-15)22-24-19-8-4-5-9-20(19)25-22;1-14-8-9-15(12-20(25)16-5-4-10-22-13-16)11-17(14)21-23-18-6-2-3-7-19(18)24-21;20-15-4-3-12(9-18(25)13-2-1-6-21-10-13)8-14(15)19-23-16-5-7-22-11-17(16)24-19/h5-13H,1,3-4H3,(H,26,29)(H,27,28);3-11H,12H2,1H3,(H,25,28)(H,26,27);2-12H,13H2,1H3,(H,24,25);2-11,13H,12H2,1H3,(H,23,24);1-8,10-11H,9H2,(H,23,24).

What are the key properties of 2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-methylphenyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-1-pyridin-3-ylethanone;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-3,5-dimethoxybenzamide?

2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-methylphenyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-1-pyridin-3-ylethanone;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-3,5-dimethoxybenzamide has a molecular weight of 1845.88 g/mol, XLogP of 24.50, 20 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1-(2-methylphenyl)ethanone;2-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-1-pyridin-3-ylethanone;2-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]-1-pyridin-3-ylethanone;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-(6-isocyano-1H-benzimidazol-2-yl)-4-methylphenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 157323449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).