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

C46H35ClF6N12O4 — CID 167577945

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

2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-amine;5-methyl-N-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]-1,2-oxazole-4-carboxamide;5-methyl-1,2-oxazole-4-carbonyl chloride (PubChem CID 167577945) has the molecular formula C46H35ClF6N12O4 and a molecular weight of 969.31 g/mol. Its IUPAC name is 2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-amine;5-methyl-N-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]-1,2-oxazole-4-carboxamide;5-methyl-1,2-oxazole-4-carbonyl chloride.

Molecular Properties

• Compound Name: 2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-amine;5-methyl-N-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]-1,2-oxazole-4-carboxamide;5-methyl-1,2-oxazole-4-carbonyl chloride
• PubChem CID: 167577945
• Molecular Formula: C46H35ClF6N12O4
• Molecular Weight: 969.31 g/mol
• Exact Mass: 968.25
• IUPAC Name: 2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-amine;5-methyl-N-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]-1,2-oxazole-4-carboxamide;5-methyl-1,2-oxazole-4-carbonyl chloride
• SMILES: Cc1cn(-c2cc(-c3nc4c(N)cccc4[nH]3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(-c3nc4c(NC(=O)c5cnoc5C)cccc4[nH]3)cc(C(F)(F)F)c2)cn1.Cc1oncc1C(=O)Cl
• InChI: InChI=1S/C23H17F3N6O2.C18H14F3N5.C5H4ClNO2/c1-12-10-32(11-27-12)16-7-14(6-15(8-16)23(24,25)26)21-29-18-4-3-5-19(20(18)31-21)30-22(33)17-9-28-34-13(17)2;1-10-8-26(9-23-10)13-6-11(5-12(7-13)18(19,20)21)17-24-15-4-2-3-14(22)16(15)25-17;1-3-4(5(6)8)2-7-9-3/h3-11H,1-2H3,(H,29,31)(H,30,33);2-9H,22H2,1H3,(H,24,25);2H,1H3
• InChIKey: GUBUHQCQIGGVCT-UHFFFAOYSA-N
• XLogP: 10.98
• TPSA: 217.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	969.31
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	4
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]-1H-benzimidazol-4-amine;5-methyl-N-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]-1,2-oxazole-4-carboxamide;5-methyl-1,2-oxazole-4-carbonyl chloride?

The IUPAC name of 2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-amine;5-methyl-N-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]-1,2-oxazole-4-carboxamide;5-methyl-1,2-oxazole-4-carbonyl chloride (CID 167577945) is 2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-amine;5-methyl-N-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]-1,2-oxazole-4-carboxamide;5-methyl-1,2-oxazole-4-carbonyl chloride.

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

The canonical SMILES for 2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-amine;5-methyl-N-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]-1,2-oxazole-4-carboxamide;5-methyl-1,2-oxazole-4-carbonyl chloride is Cc1cn(-c2cc(-c3nc4c(N)cccc4[nH]3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(-c3nc4c(NC(=O)c5cnoc5C)cccc4[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]-1H-benzimidazol-4-amine;5-methyl-N-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]-1,2-oxazole-4-carboxamide;5-methyl-1,2-oxazole-4-carbonyl chloride?

The InChIKey is GUBUHQCQIGGVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O2.C18H14F3N5.C5H4ClNO2/c1-12-10-32(11-27-12)16-7-14(6-15(8-16)23(24,25)26)21-29-18-4-3-5-19(20(18)31-21)30-22(33)17-9-28-34-13(17)2;1-10-8-26(9-23-10)13-6-11(5-12(7-13)18(19,20)21)17-24-15-4-2-3-14(22)16(15)25-17;1-3-4(5(6)8)2-7-9-3/h3-11H,1-2H3,(H,29,31)(H,30,33);2-9H,22H2,1H3,(H,24,25);2H,1H3.

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

2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-amine;5-methyl-N-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]-1,2-oxazole-4-carboxamide;5-methyl-1,2-oxazole-4-carbonyl chloride has a molecular weight of 969.31 g/mol, XLogP of 10.98, 7 rotatable bonds, 4 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]-1H-benzimidazol-4-amine;5-methyl-N-[2-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-benzimidazol-4-yl]-1,2-oxazole-4-carboxamide;5-methyl-1,2-oxazole-4-carbonyl chloride is sourced from PubChem (CID 167577945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).