6-(benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-(6-chloropyrazin-2-yl)benzimidazole;2,6-dichloropyrazine;3H-indole;4-methylaniline;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol

C68H53Cl3F6N18O — CID 162000567

About 6-(benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-(6-chloropyrazin-2-yl)benzimidazole;2,6-dichloropyrazine;3H-indole;4-methylaniline;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol

6-(benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-(6-chloropyrazin-2-yl)benzimidazole;2,6-dichloropyrazine;3H-indole;4-methylaniline;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol (PubChem CID 162000567) has the molecular formula C68H53Cl3F6N18O and a molecular weight of 1358.64 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-(6-chloropyrazin-2-yl)benzimidazole;2,6-dichloropyrazine;3H-indole;4-methylaniline;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol.

Molecular Properties

• Compound Name: 6-(benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-(6-chloropyrazin-2-yl)benzimidazole;2,6-dichloropyrazine;3H-indole;4-methylaniline;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol
• PubChem CID: 162000567
• Molecular Formula: C68H53Cl3F6N18O
• Molecular Weight: 1358.64 g/mol
• Exact Mass: 1356.36
• IUPAC Name: 6-(benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-(6-chloropyrazin-2-yl)benzimidazole;2,6-dichloropyrazine;3H-indole;4-methylaniline;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol
• SMILES: C1=Nc2ccccc2C1.CC(O)c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1ccc(N)cc1.Clc1cncc(-n2cnc3ccccc32)n1.Clc1cncc(Cl)n1.FC(F)(F)c1ccc(Nc2cncc(-n3cnc4ccccc43)n2)cc1
• InChI: InChI=1S/C20H16F3N5O.C18H12F3N5.C11H7ClN4.C8H7N.C7H9N.C4H2Cl2N2/c1-12(29)19-26-15-4-2-3-5-16(15)28(19)18-11-24-10-17(27-18)25-14-8-6-13(7-9-14)20(21,22)23;19-18(20,21)12-5-7-13(8-6-12)24-16-9-22-10-17(25-16)26-11-23-14-3-1-2-4-15(14)26;12-10-5-13-6-11(15-10)16-7-14-8-3-1-2-4-9(8)16;1-2-4-8-7(3-1)5-6-9-8;1-6-2-4-7(8)5-3-6;5-3-1-7-2-4(6)8-3/h2-12,29H,1H3,(H,25,27);1-11H,(H,24,25);1-7H;1-4,6H,5H2;2-5H,8H2,1H3;1-2H
• InChIKey: YSDNVKPAQDEGHT-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 239.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1358.64
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-(6-chloropyrazin-2-yl)benzimidazole;2,6-dichloropyrazine;3H-indole;4-methylaniline;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol?

The IUPAC name of 6-(benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-(6-chloropyrazin-2-yl)benzimidazole;2,6-dichloropyrazine;3H-indole;4-methylaniline;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol (CID 162000567) is 6-(benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-(6-chloropyrazin-2-yl)benzimidazole;2,6-dichloropyrazine;3H-indole;4-methylaniline;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol.

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

The canonical SMILES for 6-(benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-(6-chloropyrazin-2-yl)benzimidazole;2,6-dichloropyrazine;3H-indole;4-methylaniline;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol is C1=Nc2ccccc2C1.CC(O)c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1ccc(N)cc1.Clc1cncc(-n2cnc3ccccc32)n1.Clc1cncc(Cl)n1.FC(F)(F)c1ccc(Nc2cncc(-n3cnc4ccccc43)n2)cc1.

What is the InChIKey of 6-(benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-(6-chloropyrazin-2-yl)benzimidazole;2,6-dichloropyrazine;3H-indole;4-methylaniline;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol?

The InChIKey is YSDNVKPAQDEGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O.C18H12F3N5.C11H7ClN4.C8H7N.C7H9N.C4H2Cl2N2/c1-12(29)19-26-15-4-2-3-5-16(15)28(19)18-11-24-10-17(27-18)25-14-8-6-13(7-9-14)20(21,22)23;19-18(20,21)12-5-7-13(8-6-12)24-16-9-22-10-17(25-16)26-11-23-14-3-1-2-4-15(14)26;12-10-5-13-6-11(15-10)16-7-14-8-3-1-2-4-9(8)16;1-2-4-8-7(3-1)5-6-9-8;1-6-2-4-7(8)5-3-6;5-3-1-7-2-4(6)8-3/h2-12,29H,1H3,(H,25,27);1-11H,(H,24,25);1-7H;1-4,6H,5H2;2-5H,8H2,1H3;1-2H.

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

6-(benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-(6-chloropyrazin-2-yl)benzimidazole;2,6-dichloropyrazine;3H-indole;4-methylaniline;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol has a molecular weight of 1358.64 g/mol, XLogP of 16.98, 8 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;1-(6-chloropyrazin-2-yl)benzimidazole;2,6-dichloropyrazine;3H-indole;4-methylaniline;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 162000567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).