6-chloro-2-(2-chloro-3-methylphenyl)-1H-benzimidazole;[5-chloro-2-(2-chloro-3-methylphenyl)benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;2-chloro-3-methylbenzaldehyde;4-chloro-2-nitroaniline;3,4-difluorobenzoyl chloride;methane

C57H41Cl7F4N6O5 — CID 167568513

About 6-chloro-2-(2-chloro-3-methylphenyl)-1H-benzimidazole;[5-chloro-2-(2-chloro-3-methylphenyl)benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;2-chloro-3-methylbenzaldehyde;4-chloro-2-nitroaniline;3,4-difluorobenzoyl chloride;methane

6-chloro-2-(2-chloro-3-methylphenyl)-1H-benzimidazole;[5-chloro-2-(2-chloro-3-methylphenyl)benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;2-chloro-3-methylbenzaldehyde;4-chloro-2-nitroaniline;3,4-difluorobenzoyl chloride;methane (PubChem CID 167568513) has the molecular formula C57H41Cl7F4N6O5 and a molecular weight of 1214.15 g/mol. Its IUPAC name is 6-chloro-2-(2-chloro-3-methylphenyl)-1H-benzimidazole;[5-chloro-2-(2-chloro-3-methylphenyl)benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;2-chloro-3-methylbenzaldehyde;4-chloro-2-nitroaniline;3,4-difluorobenzoyl chloride;methane.

Molecular Properties

• Compound Name: 6-chloro-2-(2-chloro-3-methylphenyl)-1H-benzimidazole;[5-chloro-2-(2-chloro-3-methylphenyl)benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;2-chloro-3-methylbenzaldehyde;4-chloro-2-nitroaniline;3,4-difluorobenzoyl chloride;methane
• PubChem CID: 167568513
• Molecular Formula: C57H41Cl7F4N6O5
• Molecular Weight: 1214.15 g/mol
• Exact Mass: 1210.09
• IUPAC Name: 6-chloro-2-(2-chloro-3-methylphenyl)-1H-benzimidazole;[5-chloro-2-(2-chloro-3-methylphenyl)benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;2-chloro-3-methylbenzaldehyde;4-chloro-2-nitroaniline;3,4-difluorobenzoyl chloride;methane
• SMILES: C.Cc1cccc(-c2nc3cc(Cl)ccc3n2C(=O)c2ccc(F)c(F)c2)c1Cl.Cc1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1Cl.Cc1cccc(C=O)c1Cl.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1ccc(F)c(F)c1
• InChI: InChI=1S/C21H12Cl2F2N2O.C14H10Cl2N2.C8H7ClO.C7H3ClF2O.C6H5ClN2O2.CH4/c1-11-3-2-4-14(19(11)23)20-26-17-10-13(22)6-8-18(17)27(20)21(28)12-5-7-15(24)16(25)9-12;1-8-3-2-4-10(13(8)16)14-17-11-6-5-9(15)7-12(11)18-14;1-6-3-2-4-7(5-10)8(6)9;8-7(11)4-1-2-5(9)6(10)3-4;7-4-1-2-5(8)6(3-4)9(10)11;/h2-10H,1H3;2-7H,1H3,(H,17,18);2-5H,1H3;1-3H;1-3H,8H2;1H4
• InChIKey: FPBNNRVQGSMHAY-UHFFFAOYSA-N
• XLogP: 18.40
• TPSA: 166.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1214.15
LogP ≤ 5	18.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chloro-3-methylphenyl)-1H-benzimidazole;[5-chloro-2-(2-chloro-3-methylphenyl)benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;2-chloro-3-methylbenzaldehyde;4-chloro-2-nitroaniline;3,4-difluorobenzoyl chloride;methane?

The IUPAC name of 6-chloro-2-(2-chloro-3-methylphenyl)-1H-benzimidazole;[5-chloro-2-(2-chloro-3-methylphenyl)benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;2-chloro-3-methylbenzaldehyde;4-chloro-2-nitroaniline;3,4-difluorobenzoyl chloride;methane (CID 167568513) is 6-chloro-2-(2-chloro-3-methylphenyl)-1H-benzimidazole;[5-chloro-2-(2-chloro-3-methylphenyl)benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;2-chloro-3-methylbenzaldehyde;4-chloro-2-nitroaniline;3,4-difluorobenzoyl chloride;methane.

What is the SMILES notation for 6-chloro-2-(2-chloro-3-methylphenyl)-1H-benzimidazole;[5-chloro-2-(2-chloro-3-methylphenyl)benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;2-chloro-3-methylbenzaldehyde;4-chloro-2-nitroaniline;3,4-difluorobenzoyl chloride;methane?

The canonical SMILES for 6-chloro-2-(2-chloro-3-methylphenyl)-1H-benzimidazole;[5-chloro-2-(2-chloro-3-methylphenyl)benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;2-chloro-3-methylbenzaldehyde;4-chloro-2-nitroaniline;3,4-difluorobenzoyl chloride;methane is C.Cc1cccc(-c2nc3cc(Cl)ccc3n2C(=O)c2ccc(F)c(F)c2)c1Cl.Cc1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1Cl.Cc1cccc(C=O)c1Cl.Nc1ccc(Cl)cc1[N+](=O)[O-].O=C(Cl)c1ccc(F)c(F)c1.

What is the InChIKey of 6-chloro-2-(2-chloro-3-methylphenyl)-1H-benzimidazole;[5-chloro-2-(2-chloro-3-methylphenyl)benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;2-chloro-3-methylbenzaldehyde;4-chloro-2-nitroaniline;3,4-difluorobenzoyl chloride;methane?

The InChIKey is FPBNNRVQGSMHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2F2N2O.C14H10Cl2N2.C8H7ClO.C7H3ClF2O.C6H5ClN2O2.CH4/c1-11-3-2-4-14(19(11)23)20-26-17-10-13(22)6-8-18(17)27(20)21(28)12-5-7-15(24)16(25)9-12;1-8-3-2-4-10(13(8)16)14-17-11-6-5-9(15)7-12(11)18-14;1-6-3-2-4-7(5-10)8(6)9;8-7(11)4-1-2-5(9)6(10)3-4;7-4-1-2-5(8)6(3-4)9(10)11;/h2-10H,1H3;2-7H,1H3,(H,17,18);2-5H,1H3;1-3H;1-3H,8H2;1H4.

What are the key properties of 6-chloro-2-(2-chloro-3-methylphenyl)-1H-benzimidazole;[5-chloro-2-(2-chloro-3-methylphenyl)benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;2-chloro-3-methylbenzaldehyde;4-chloro-2-nitroaniline;3,4-difluorobenzoyl chloride;methane?

6-chloro-2-(2-chloro-3-methylphenyl)-1H-benzimidazole;[5-chloro-2-(2-chloro-3-methylphenyl)benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;2-chloro-3-methylbenzaldehyde;4-chloro-2-nitroaniline;3,4-difluorobenzoyl chloride;methane has a molecular weight of 1214.15 g/mol, XLogP of 18.40, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-(2-chloro-3-methylphenyl)-1H-benzimidazole;[5-chloro-2-(2-chloro-3-methylphenyl)benzimidazol-1-yl]-(3,4-difluorophenyl)methanone;2-chloro-3-methylbenzaldehyde;4-chloro-2-nitroaniline;3,4-difluorobenzoyl chloride;methane is sourced from PubChem (CID 167568513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).