2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole;N-hydroxy-2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide;methyl 2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxylate

C43H43ClF9N9O4 — CID 160597348

About 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole;N-hydroxy-2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide;methyl 2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxylate

2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole;N-hydroxy-2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide;methyl 2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxylate (PubChem CID 160597348) has the molecular formula C43H43ClF9N9O4 and a molecular weight of 956.31 g/mol. Its IUPAC name is 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole;N-hydroxy-2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide;methyl 2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxylate.

Molecular Properties

• Compound Name: 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole;N-hydroxy-2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide;methyl 2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxylate
• PubChem CID: 160597348
• Molecular Formula: C43H43ClF9N9O4
• Molecular Weight: 956.31 g/mol
• Exact Mass: 955.30
• IUPAC Name: 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole;N-hydroxy-2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide;methyl 2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxylate
• SMILES: COC(=O)c1cccc2c1CN(c1nc3c([nH]1)CC(C(F)(F)F)CC3)C2.FC(F)(F)C1CCc2nc(Cl)[nH]c2C1.O=C(NO)c1cccc2c1CN(c1nc3c([nH]1)CC(C(F)(F)F)CC3)C2
• InChI: InChI=1S/C18H18F3N3O2.C17H17F3N4O2.C8H8ClF3N2/c1-26-16(25)12-4-2-3-10-8-24(9-13(10)12)17-22-14-6-5-11(18(19,20)21)7-15(14)23-17;18-17(19,20)10-4-5-13-14(6-10)22-16(21-13)24-7-9-2-1-3-11(12(9)8-24)15(25)23-26;9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7/h2-4,11H,5-9H2,1H3,(H,22,23);1-3,10,26H,4-8H2,(H,21,22)(H,23,25);4H,1-3H2,(H,13,14)
• InChIKey: RDUOVYCRGNSXGW-UHFFFAOYSA-N
• XLogP: 8.83
• TPSA: 168.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.31
LogP ≤ 5	8.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole;N-hydroxy-2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide;methyl 2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxylate?

The IUPAC name of 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole;N-hydroxy-2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide;methyl 2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxylate (CID 160597348) is 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole;N-hydroxy-2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide;methyl 2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxylate.

What is the SMILES notation for 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole;N-hydroxy-2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide;methyl 2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxylate?

The canonical SMILES for 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole;N-hydroxy-2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide;methyl 2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxylate is COC(=O)c1cccc2c1CN(c1nc3c([nH]1)CC(C(F)(F)F)CC3)C2.FC(F)(F)C1CCc2nc(Cl)[nH]c2C1.O=C(NO)c1cccc2c1CN(c1nc3c([nH]1)CC(C(F)(F)F)CC3)C2.

What is the InChIKey of 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole;N-hydroxy-2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide;methyl 2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxylate?

The InChIKey is RDUOVYCRGNSXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2.C17H17F3N4O2.C8H8ClF3N2/c1-26-16(25)12-4-2-3-10-8-24(9-13(10)12)17-22-14-6-5-11(18(19,20)21)7-15(14)23-17;18-17(19,20)10-4-5-13-14(6-10)22-16(21-13)24-7-9-2-1-3-11(12(9)8-24)15(25)23-26;9-7-13-5-2-1-4(8(10,11)12)3-6(5)14-7/h2-4,11H,5-9H2,1H3,(H,22,23);1-3,10,26H,4-8H2,(H,21,22)(H,23,25);4H,1-3H2,(H,13,14).

What are the key properties of 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole;N-hydroxy-2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide;methyl 2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxylate?

2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole;N-hydroxy-2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide;methyl 2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxylate has a molecular weight of 956.31 g/mol, XLogP of 8.83, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole;N-hydroxy-2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide;methyl 2-[6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxylate is sourced from PubChem (CID 160597348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).