1-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-4-nitro-1H-benzimidazole;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine;3-nitrobenzene-1,2-diamine

C75H61Cl3F6N26O8 — CID 157471161

About 1-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-4-nitro-1H-benzimidazole;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine;3-nitrobenzene-1,2-diamine

1-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-4-nitro-1H-benzimidazole;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine;3-nitrobenzene-1,2-diamine (PubChem CID 157471161) has the molecular formula C75H61Cl3F6N26O8 and a molecular weight of 1674.83 g/mol. Its IUPAC name is 1-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-4-nitro-1H-benzimidazole;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine;3-nitrobenzene-1,2-diamine.

Molecular Properties

• Compound Name: 1-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-4-nitro-1H-benzimidazole;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine;3-nitrobenzene-1,2-diamine
• PubChem CID: 157471161
• Molecular Formula: C75H61Cl3F6N26O8
• Molecular Weight: 1674.83 g/mol
• Exact Mass: 1672.41
• IUPAC Name: 1-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-4-nitro-1H-benzimidazole;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine;3-nitrobenzene-1,2-diamine
• SMILES: Cc1ccc(N)cc1.Cc1nc2c(N)cccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2c([N+](=O)[O-])cccc2[nH]1.Cc1nc2c([N+](=O)[O-])cccc2n1-c1cncc(Cl)n1.Cc1nc2c([N+](=O)[O-])cccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Clc1cncc(Cl)n1.Nc1cccc([N+](=O)[O-])c1N
• InChI: InChI=1S/C19H13F3N6O2.C19H15F3N6.C12H8ClN5O2.C8H7N3O2.C7H9N.C6H7N3O2.C4H2Cl2N2/c1-11-24-18-14(3-2-4-15(18)28(29)30)27(11)17-10-23-9-16(26-17)25-13-7-5-12(6-8-13)19(20,21)22;1-11-25-18-14(23)3-2-4-15(18)28(11)17-10-24-9-16(27-17)26-13-7-5-12(6-8-13)19(20,21)22;1-7-15-12-8(3-2-4-9(12)18(19)20)17(7)11-6-14-5-10(13)16-11;1-5-9-6-3-2-4-7(11(12)13)8(6)10-5;1-6-2-4-7(8)5-3-6;7-4-2-1-3-5(6(4)8)9(10)11;5-3-1-7-2-4(6)8-3/h2-10H,1H3,(H,25,26);2-10H,23H2,1H3,(H,26,27);2-6H,1H3;2-4H,1H3,(H,9,10);2-5H,8H2,1H3;1-3H,7-8H2;1-2H
• InChIKey: BVBAHNNMWBMQPW-UHFFFAOYSA-N
• XLogP: 17.85
• TPSA: 485.96 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 11
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1674.83
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', '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 1-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-4-nitro-1H-benzimidazole;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine;3-nitrobenzene-1,2-diamine?

The IUPAC name of 1-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-4-nitro-1H-benzimidazole;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine;3-nitrobenzene-1,2-diamine (CID 157471161) is 1-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-4-nitro-1H-benzimidazole;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine;3-nitrobenzene-1,2-diamine.

What is the SMILES notation for 1-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-4-nitro-1H-benzimidazole;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine;3-nitrobenzene-1,2-diamine?

The canonical SMILES for 1-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-4-nitro-1H-benzimidazole;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine;3-nitrobenzene-1,2-diamine is Cc1ccc(N)cc1.Cc1nc2c(N)cccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2c([N+](=O)[O-])cccc2[nH]1.Cc1nc2c([N+](=O)[O-])cccc2n1-c1cncc(Cl)n1.Cc1nc2c([N+](=O)[O-])cccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Clc1cncc(Cl)n1.Nc1cccc([N+](=O)[O-])c1N.

What is the InChIKey of 1-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-4-nitro-1H-benzimidazole;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine;3-nitrobenzene-1,2-diamine?

The InChIKey is BVBAHNNMWBMQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O2.C19H15F3N6.C12H8ClN5O2.C8H7N3O2.C7H9N.C6H7N3O2.C4H2Cl2N2/c1-11-24-18-14(3-2-4-15(18)28(29)30)27(11)17-10-23-9-16(26-17)25-13-7-5-12(6-8-13)19(20,21)22;1-11-25-18-14(23)3-2-4-15(18)28(11)17-10-24-9-16(27-17)26-13-7-5-12(6-8-13)19(20,21)22;1-7-15-12-8(3-2-4-9(12)18(19)20)17(7)11-6-14-5-10(13)16-11;1-5-9-6-3-2-4-7(11(12)13)8(6)10-5;1-6-2-4-7(8)5-3-6;7-4-2-1-3-5(6(4)8)9(10)11;5-3-1-7-2-4(6)8-3/h2-10H,1H3,(H,25,26);2-10H,23H2,1H3,(H,26,27);2-6H,1H3;2-4H,1H3,(H,9,10);2-5H,8H2,1H3;1-3H,7-8H2;1-2H.

What are the key properties of 1-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-4-nitro-1H-benzimidazole;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine;3-nitrobenzene-1,2-diamine?

1-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-4-nitro-1H-benzimidazole;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine;3-nitrobenzene-1,2-diamine has a molecular weight of 1674.83 g/mol, XLogP of 17.85, 11 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloropyrazin-2-yl)-2-methyl-4-nitrobenzimidazole;2,6-dichloropyrazine;4-methylaniline;2-methyl-4-nitro-1H-benzimidazole;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-4-amine;3-nitrobenzene-1,2-diamine is sourced from PubChem (CID 157471161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).