2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine;2,6-dichloropyrazine;4-methylaniline;2-methyl-5-(trifluoromethyl)-1H-imidazole;6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C41H33Cl3F12N14 — CID 157417167

About 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine;2,6-dichloropyrazine;4-methylaniline;2-methyl-5-(trifluoromethyl)-1H-imidazole;6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine;2,6-dichloropyrazine;4-methylaniline;2-methyl-5-(trifluoromethyl)-1H-imidazole;6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 157417167) has the molecular formula C41H33Cl3F12N14 and a molecular weight of 1056.15 g/mol. Its IUPAC name is 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine;2,6-dichloropyrazine;4-methylaniline;2-methyl-5-(trifluoromethyl)-1H-imidazole;6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine;2,6-dichloropyrazine;4-methylaniline;2-methyl-5-(trifluoromethyl)-1H-imidazole;6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
• PubChem CID: 157417167
• Molecular Formula: C41H33Cl3F12N14
• Molecular Weight: 1056.15 g/mol
• Exact Mass: 1054.19
• IUPAC Name: 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine;2,6-dichloropyrazine;4-methylaniline;2-methyl-5-(trifluoromethyl)-1H-imidazole;6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
• SMILES: Cc1ccc(N)cc1.Cc1nc(C(F)(F)F)cn1-c1cncc(Cl)n1.Cc1nc(C(F)(F)F)cn1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1ncc(C(F)(F)F)[nH]1.Clc1cncc(Cl)n1
• InChI: InChI=1S/C16H11F6N5.C9H6ClF3N4.C7H9N.C5H5F3N2.C4H2Cl2N2/c1-9-24-12(16(20,21)22)8-27(9)14-7-23-6-13(26-14)25-11-4-2-10(3-5-11)15(17,18)19;1-5-15-6(9(11,12)13)4-17(5)8-3-14-2-7(10)16-8;1-6-2-4-7(8)5-3-6;1-3-9-2-4(10-3)5(6,7)8;5-3-1-7-2-4(6)8-3/h2-8H,1H3,(H,25,26);2-4H,1H3;2-5H,8H2,1H3;2H,1H3,(H,9,10);1-2H
• InChIKey: BOZITBAWQUSTLT-UHFFFAOYSA-N
• XLogP: 12.49
• TPSA: 179.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 4
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1056.15
LogP ≤ 5	12.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine;2,6-dichloropyrazine;4-methylaniline;2-methyl-5-(trifluoromethyl)-1H-imidazole;6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The IUPAC name of 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine;2,6-dichloropyrazine;4-methylaniline;2-methyl-5-(trifluoromethyl)-1H-imidazole;6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 157417167) is 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine;2,6-dichloropyrazine;4-methylaniline;2-methyl-5-(trifluoromethyl)-1H-imidazole;6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

What is the SMILES notation for 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine;2,6-dichloropyrazine;4-methylaniline;2-methyl-5-(trifluoromethyl)-1H-imidazole;6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The canonical SMILES for 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine;2,6-dichloropyrazine;4-methylaniline;2-methyl-5-(trifluoromethyl)-1H-imidazole;6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is Cc1ccc(N)cc1.Cc1nc(C(F)(F)F)cn1-c1cncc(Cl)n1.Cc1nc(C(F)(F)F)cn1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1ncc(C(F)(F)F)[nH]1.Clc1cncc(Cl)n1.

What is the InChIKey of 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine;2,6-dichloropyrazine;4-methylaniline;2-methyl-5-(trifluoromethyl)-1H-imidazole;6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The InChIKey is BOZITBAWQUSTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6N5.C9H6ClF3N4.C7H9N.C5H5F3N2.C4H2Cl2N2/c1-9-24-12(16(20,21)22)8-27(9)14-7-23-6-13(26-14)25-11-4-2-10(3-5-11)15(17,18)19;1-5-15-6(9(11,12)13)4-17(5)8-3-14-2-7(10)16-8;1-6-2-4-7(8)5-3-6;1-3-9-2-4(10-3)5(6,7)8;5-3-1-7-2-4(6)8-3/h2-8H,1H3,(H,25,26);2-4H,1H3;2-5H,8H2,1H3;2H,1H3,(H,9,10);1-2H.

What are the key properties of 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine;2,6-dichloropyrazine;4-methylaniline;2-methyl-5-(trifluoromethyl)-1H-imidazole;6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine;2,6-dichloropyrazine;4-methylaniline;2-methyl-5-(trifluoromethyl)-1H-imidazole;6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 1056.15 g/mol, XLogP of 12.49, 4 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrazine;2,6-dichloropyrazine;4-methylaniline;2-methyl-5-(trifluoromethyl)-1H-imidazole;6-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 157417167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).