lithium;butane;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-[5-(trifluoromethyl)thiophen-2-yl]methanol;2-(trifluoromethyl)thiophene

C61H59F6LiN8O6S2 — CID 157361410

About lithium;butane;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-[5-(trifluoromethyl)thiophen-2-yl]methanol;2-(trifluoromethyl)thiophene

lithium;butane;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-[5-(trifluoromethyl)thiophen-2-yl]methanol;2-(trifluoromethyl)thiophene (PubChem CID 157361410) has the molecular formula C61H59F6LiN8O6S2 and a molecular weight of 1185.26 g/mol. Its IUPAC name is lithium;butane;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-[5-(trifluoromethyl)thiophen-2-yl]methanol;2-(trifluoromethyl)thiophene.

Molecular Properties

• Compound Name: lithium;butane;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-[5-(trifluoromethyl)thiophen-2-yl]methanol;2-(trifluoromethyl)thiophene
• PubChem CID: 157361410
• Molecular Formula: C61H59F6LiN8O6S2
• Molecular Weight: 1185.26 g/mol
• Exact Mass: 1184.41
• IUPAC Name: lithium;butane;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-[5-(trifluoromethyl)thiophen-2-yl]methanol;2-(trifluoromethyl)thiophene
• SMILES: Cc1noc(C)c1-c1cc(C(=O)c2ccccn2)c2nc(C3CC3)n(C(=O)OC(C)(C)C)c2c1.Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccc(C(F)(F)F)s2)c2nc(C3CC3)[nH]c2c1.FC(F)(F)c1cccs1.[CH2-]CCC.[Li+]
• InChI: InChI=1S/C26H21F3N4O2S.C26H26N4O4.C5H3F3S.C4H9.Li/c1-13-22(14(2)35-33-13)16-11-17(23-18(12-16)31-24(32-23)15-6-7-15)25(34,19-5-3-4-10-30-19)20-8-9-21(36-20)26(27,28)29;1-14-21(15(2)34-29-14)17-12-18(23(31)19-8-6-7-11-27-19)22-20(13-17)30(24(28-22)16-9-10-16)25(32)33-26(3,4)5;6-5(7,8)4-2-1-3-9-4;1-3-4-2;/h3-5,8-12,15,34H,6-7H2,1-2H3,(H,31,32);6-8,11-13,16H,9-10H2,1-5H3;1-3H;1,3-4H2,2H3;/q;;;-1;+1
• InChIKey: BFMNGSNYVZBNFU-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 187.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1185.26
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;butane;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-[5-(trifluoromethyl)thiophen-2-yl]methanol;2-(trifluoromethyl)thiophene?

The IUPAC name of lithium;butane;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-[5-(trifluoromethyl)thiophen-2-yl]methanol;2-(trifluoromethyl)thiophene (CID 157361410) is lithium;butane;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-[5-(trifluoromethyl)thiophen-2-yl]methanol;2-(trifluoromethyl)thiophene.

What is the SMILES notation for lithium;butane;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-[5-(trifluoromethyl)thiophen-2-yl]methanol;2-(trifluoromethyl)thiophene?

The canonical SMILES for lithium;butane;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-[5-(trifluoromethyl)thiophen-2-yl]methanol;2-(trifluoromethyl)thiophene is Cc1noc(C)c1-c1cc(C(=O)c2ccccn2)c2nc(C3CC3)n(C(=O)OC(C)(C)C)c2c1.Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccc(C(F)(F)F)s2)c2nc(C3CC3)[nH]c2c1.FC(F)(F)c1cccs1.[CH2-]CCC.[Li+].

What is the InChIKey of lithium;butane;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-[5-(trifluoromethyl)thiophen-2-yl]methanol;2-(trifluoromethyl)thiophene?

The InChIKey is BFMNGSNYVZBNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O2S.C26H26N4O4.C5H3F3S.C4H9.Li/c1-13-22(14(2)35-33-13)16-11-17(23-18(12-16)31-24(32-23)15-6-7-15)25(34,19-5-3-4-10-30-19)20-8-9-21(36-20)26(27,28)29;1-14-21(15(2)34-29-14)17-12-18(23(31)19-8-6-7-11-27-19)22-20(13-17)30(24(28-22)16-9-10-16)25(32)33-26(3,4)5;6-5(7,8)4-2-1-3-9-4;1-3-4-2;/h3-5,8-12,15,34H,6-7H2,1-2H3,(H,31,32);6-8,11-13,16H,9-10H2,1-5H3;1-3H;1,3-4H2,2H3;/q;;;-1;+1.

What are the key properties of lithium;butane;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-[5-(trifluoromethyl)thiophen-2-yl]methanol;2-(trifluoromethyl)thiophene?

lithium;butane;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-[5-(trifluoromethyl)thiophen-2-yl]methanol;2-(trifluoromethyl)thiophene has a molecular weight of 1185.26 g/mol, XLogP of 13.46, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;butane;tert-butyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(pyridine-2-carbonyl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-[5-(trifluoromethyl)thiophen-2-yl]methanol;2-(trifluoromethyl)thiophene is sourced from PubChem (CID 157361410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).