2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(4-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 167659282

About 2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(4-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-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(4-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 167659282) has the molecular formula C47H36ClF6N11O4 and a molecular weight of 968.32 g/mol. Its IUPAC name is 2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(4-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-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(4-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: 167659282
• Molecular Formula: C47H36ClF6N11O4
• Molecular Weight: 968.32 g/mol
• Exact Mass: 967.25
• IUPAC Name: 2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(4-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: Cc1cn(-c2cc(-c3nc4ccc(CC(=O)c5cnoc5C)cc4[nH]3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(-c3nc4ccc(N)cc4[nH]3)cc(C(F)(F)F)c2)cn1.Cc1oncc1C(=O)Cl
• InChI: InChI=1S/C24H18F3N5O2.C18H14F3N5.C5H4ClNO2/c1-13-11-32(12-28-13)18-8-16(7-17(9-18)24(25,26)27)23-30-20-4-3-15(5-21(20)31-23)6-22(33)19-10-29-34-14(19)2;1-10-8-26(9-23-10)14-5-11(4-12(6-14)18(19,20)21)17-24-15-3-2-13(22)7-16(15)25-17;1-3-4(5(6)8)2-7-9-3/h3-5,7-12H,6H2,1-2H3,(H,30,31);2-9H,22H2,1H3,(H,24,25);2H,1H3
• InChIKey: RSIQJXUBUPMUKF-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-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(4-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-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(4-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 167659282) is 2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(4-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-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(4-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-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(4-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 Cc1cn(-c2cc(-c3nc4ccc(CC(=O)c5cnoc5C)cc4[nH]3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(-c3nc4ccc(N)cc4[nH]3)cc(C(F)(F)F)c2)cn1.Cc1oncc1C(=O)Cl.

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

What are the key properties of 2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(4-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-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(4-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-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine;2-[2-[3-(4-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 167659282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).