2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1-(5-methyl-1,2-oxazol-4-yl)ethanone;5-methyl-1,2-oxazole-4-carbonyl chloride

C47H36ClF6N11O4 — CID 167554577

About 2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1-(5-methyl-1,2-oxazol-4-yl)ethanone;5-methyl-1,2-oxazole-4-carbonyl chloride

2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1-(5-methyl-1,2-oxazol-4-yl)ethanone;5-methyl-1,2-oxazole-4-carbonyl chloride (PubChem CID 167554577) has the molecular formula C47H36ClF6N11O4 and a molecular weight of 968.32 g/mol. Its IUPAC name is 2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1-(5-methyl-1,2-oxazol-4-yl)ethanone;5-methyl-1,2-oxazole-4-carbonyl chloride.

Molecular Properties

• Compound Name: 2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1-(5-methyl-1,2-oxazol-4-yl)ethanone;5-methyl-1,2-oxazole-4-carbonyl chloride
• PubChem CID: 167554577
• Molecular Formula: C47H36ClF6N11O4
• Molecular Weight: 968.32 g/mol
• Exact Mass: 967.25
• IUPAC Name: 2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1-(5-methyl-1,2-oxazol-4-yl)ethanone;5-methyl-1,2-oxazole-4-carbonyl chloride
• SMILES: Cc1nccn1-c1cc(-c2nc3ccc(N)cc3[nH]2)cc(C(F)(F)F)c1.Cc1oncc1C(=O)Cc1ccc2nc(-c3cc(-n4ccnc4C)cc(C(F)(F)F)c3)[nH]c2c1.Cc1oncc1C(=O)Cl
• InChI: InChI=1S/C24H18F3N5O2.C18H14F3N5.C5H4ClNO2/c1-13-19(12-29-34-13)22(33)8-15-3-4-20-21(7-15)31-23(30-20)16-9-17(24(25,26)27)11-18(10-16)32-6-5-28-14(32)2;1-10-23-4-5-26(10)14-7-11(6-12(8-14)18(19,20)21)17-24-15-3-2-13(22)9-16(15)25-17;1-3-4(5(6)8)2-7-9-3/h3-7,9-12H,8H2,1-2H3,(H,30,31);2-9H,22H2,1H3,(H,24,25);2H,1H3
• InChIKey: CVOBNYDRAWMMRZ-UHFFFAOYSA-N
• XLogP: 11.15
• TPSA: 205.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	968.32
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1-(5-methyl-1,2-oxazol-4-yl)ethanone;5-methyl-1,2-oxazole-4-carbonyl chloride?

The IUPAC name of 2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1-(5-methyl-1,2-oxazol-4-yl)ethanone;5-methyl-1,2-oxazole-4-carbonyl chloride (CID 167554577) is 2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1-(5-methyl-1,2-oxazol-4-yl)ethanone;5-methyl-1,2-oxazole-4-carbonyl chloride.

What is the SMILES notation for 2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1-(5-methyl-1,2-oxazol-4-yl)ethanone;5-methyl-1,2-oxazole-4-carbonyl chloride?

The canonical SMILES for 2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1-(5-methyl-1,2-oxazol-4-yl)ethanone;5-methyl-1,2-oxazole-4-carbonyl chloride is Cc1nccn1-c1cc(-c2nc3ccc(N)cc3[nH]2)cc(C(F)(F)F)c1.Cc1oncc1C(=O)Cc1ccc2nc(-c3cc(-n4ccnc4C)cc(C(F)(F)F)c3)[nH]c2c1.Cc1oncc1C(=O)Cl.

What is the InChIKey of 2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1-(5-methyl-1,2-oxazol-4-yl)ethanone;5-methyl-1,2-oxazole-4-carbonyl chloride?

The InChIKey is CVOBNYDRAWMMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2.C18H14F3N5.C5H4ClNO2/c1-13-19(12-29-34-13)22(33)8-15-3-4-20-21(7-15)31-23(30-20)16-9-17(24(25,26)27)11-18(10-16)32-6-5-28-14(32)2;1-10-23-4-5-26(10)14-7-11(6-12(8-14)18(19,20)21)17-24-15-3-2-13(22)9-16(15)25-17;1-3-4(5(6)8)2-7-9-3/h3-7,9-12H,8H2,1-2H3,(H,30,31);2-9H,22H2,1H3,(H,24,25);2H,1H3.

What are the key properties of 2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1-(5-methyl-1,2-oxazol-4-yl)ethanone;5-methyl-1,2-oxazole-4-carbonyl chloride?

2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1-(5-methyl-1,2-oxazol-4-yl)ethanone;5-methyl-1,2-oxazole-4-carbonyl chloride has a molecular weight of 968.32 g/mol, XLogP of 11.15, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(2-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1-(5-methyl-1,2-oxazol-4-yl)ethanone;5-methyl-1,2-oxazole-4-carbonyl chloride is sourced from PubChem (CID 167554577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).