N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);methane;2-(2,3,3-trifluoro-2-methylcyclobutyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide

C74H83F21N12O4 — CID 159594306

About N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);methane;2-(2,3,3-trifluoro-2-methylcyclobutyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide

N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);methane;2-(2,3,3-trifluoro-2-methylcyclobutyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide (PubChem CID 159594306) has the molecular formula C74H83F21N12O4 and a molecular weight of 1603.52 g/mol. Its IUPAC name is N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);methane;2-(2,3,3-trifluoro-2-methylcyclobutyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);methane;2-(2,3,3-trifluoro-2-methylcyclobutyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide
• PubChem CID: 159594306
• Molecular Formula: C74H83F21N12O4
• Molecular Weight: 1603.52 g/mol
• Exact Mass: 1602.63
• IUPAC Name: N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);methane;2-(2,3,3-trifluoro-2-methylcyclobutyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide
• SMILES: C.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2c(F)cc(F)cc21.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2cc(F)c(F)cc21.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2cc(F)c(F)cc21.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3cc(F)c(F)c(F)c32)CCC1
• InChI: InChI=1S/C19H19F6N3O.3C18H20F5N3O.CH4/c1-17(4-3-5-17)28-15-11(7-10(20)13(21)14(15)22)26-16(28)27-12(29)6-9-8-19(24,25)18(9,2)23;2*1-16(2,3)26-13-7-11(20)10(19)6-12(13)24-15(26)25-14(27)5-9-8-18(22,23)17(9,4)21;1-16(2,3)26-12-7-10(19)6-11(20)14(12)25-15(26)24-13(27)5-9-8-18(22,23)17(9,4)21;/h7,9H,3-6,8H2,1-2H3,(H,26,27,29);3*6-7,9H,5,8H2,1-4H3,(H,24,25,27);1H4
• InChIKey: MKQDAARPZYWGQL-UHFFFAOYSA-N
• XLogP: 20.05
• TPSA: 187.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1603.52
LogP ≤ 5	20.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);methane;2-(2,3,3-trifluoro-2-methylcyclobutyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide?

The IUPAC name of N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);methane;2-(2,3,3-trifluoro-2-methylcyclobutyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide (CID 159594306) is N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);methane;2-(2,3,3-trifluoro-2-methylcyclobutyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide.

What is the SMILES notation for N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);methane;2-(2,3,3-trifluoro-2-methylcyclobutyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide?

The canonical SMILES for N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);methane;2-(2,3,3-trifluoro-2-methylcyclobutyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide is C.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2c(F)cc(F)cc21.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2cc(F)c(F)cc21.CC(C)(C)n1c(NC(=O)CC2CC(F)(F)C2(C)F)nc2cc(F)c(F)cc21.CC1(n2c(NC(=O)CC3CC(F)(F)C3(C)F)nc3cc(F)c(F)c(F)c32)CCC1.

What is the InChIKey of N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);methane;2-(2,3,3-trifluoro-2-methylcyclobutyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide?

The InChIKey is MKQDAARPZYWGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6N3O.3C18H20F5N3O.CH4/c1-17(4-3-5-17)28-15-11(7-10(20)13(21)14(15)22)26-16(28)27-12(29)6-9-8-19(24,25)18(9,2)23;2*1-16(2,3)26-13-7-11(20)10(19)6-12(13)24-15(26)25-14(27)5-9-8-18(22,23)17(9,4)21;1-16(2,3)26-12-7-10(19)6-11(20)14(12)25-15(26)24-13(27)5-9-8-18(22,23)17(9,4)21;/h7,9H,3-6,8H2,1-2H3,(H,26,27,29);3*6-7,9H,5,8H2,1-4H3,(H,24,25,27);1H4.

What are the key properties of N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);methane;2-(2,3,3-trifluoro-2-methylcyclobutyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide?

N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);methane;2-(2,3,3-trifluoro-2-methylcyclobutyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide has a molecular weight of 1603.52 g/mol, XLogP of 20.05, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-tert-butyl-4,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide;bis(N-(1-tert-butyl-5,6-difluorobenzimidazol-2-yl)-2-(2,3,3-trifluoro-2-methylcyclobutyl)acetamide);methane;2-(2,3,3-trifluoro-2-methylcyclobutyl)-N-[5,6,7-trifluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide is sourced from PubChem (CID 159594306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).