N-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3R)-3-cyclopropyl-N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxybutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C124H161Br2F10N21O9 — CID 158572853

About N-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3R)-3-cyclopropyl-N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxybutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

N-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3R)-3-cyclopropyl-N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxybutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 158572853) has the molecular formula C124H161Br2F10N21O9 and a molecular weight of 2439.58 g/mol. Its IUPAC name is N-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3R)-3-cyclopropyl-N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxybutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3R)-3-cyclopropyl-N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxybutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 158572853
• Molecular Formula: C124H161Br2F10N21O9
• Molecular Weight: 2439.58 g/mol
• Exact Mass: 2436.10
• IUPAC Name: N-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3R)-3-cyclopropyl-N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxybutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2c(F)cc(Br)cc2n1C(C)(C)C.CC(C)(C)CC(=O)Nc1nc2c(F)cc(Br)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(F)c(F)c2n1C(C)(C)C.CC(C)(C)CC(=O)Nc1nc2ccc(F)c(F)c2n1C1(C)CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(F)c(F)c2n1C1CCC1.CC1(n2c(NC(=O)C[C@@](C)(O)C3CC3)nc3ccc(F)c(F)c32)CCC1.Cc1ccc2nc(NC(=O)C[C@](C)(O)C3CC3)n(C(C)(C)C)c2c1
• InChI: InChI=1S/C19H23F2N3O2.C19H27N3O2.C18H23F2N3O.C17H21BrFN3O.C17H23BrFN3O.C17H21F2N3O.C17H23F2N3O/c1-18(8-3-9-18)24-16-13(7-6-12(20)15(16)21)22-17(24)23-14(25)10-19(2,26)11-4-5-11;1-12-6-9-14-15(10-12)22(18(2,3)4)17(20-14)21-16(23)11-19(5,24)13-7-8-13;1-17(2,3)10-13(24)22-16-21-12-7-6-11(19)14(20)15(12)23(16)18(4)8-5-9-18;1-17(2,3)9-14(23)20-16-21-15-12(19)7-10(18)8-13(15)22(16)11-5-4-6-11;1-16(2,3)9-13(23)20-15-21-14-11(19)7-10(18)8-12(14)22(15)17(4,5)6;1-17(2,3)9-13(23)21-16-20-12-8-7-11(18)14(19)15(12)22(16)10-5-4-6-10;1-16(2,3)9-12(23)21-15-20-11-8-7-10(18)13(19)14(11)22(15)17(4,5)6/h6-7,11,26H,3-5,8-10H2,1-2H3,(H,22,23,25);6,9-10,13,24H,7-8,11H2,1-5H3,(H,20,21,23);6-7H,5,8-10H2,1-4H3,(H,21,22,24);7-8,11H,4-6,9H2,1-3H3,(H,20,21,23);7-8H,9H2,1-6H3,(H,20,21,23);7-8,10H,4-6,9H2,1-3H3,(H,20,21,23);7-8H,9H2,1-6H3,(H,20,21,23)/t2*19-;;;;;/m10...../s1
• InChIKey: HSHKCVCWIWLQNG-MLMWPJLYSA-N
• XLogP: 30.84
• TPSA: 368.90 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2439.58
LogP ≤ 5	30.84
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3R)-3-cyclopropyl-N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxybutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The IUPAC name of N-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3R)-3-cyclopropyl-N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxybutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 158572853) is N-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3R)-3-cyclopropyl-N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxybutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3R)-3-cyclopropyl-N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxybutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The canonical SMILES for N-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3R)-3-cyclopropyl-N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxybutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2c(F)cc(Br)cc2n1C(C)(C)C.CC(C)(C)CC(=O)Nc1nc2c(F)cc(Br)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(F)c(F)c2n1C(C)(C)C.CC(C)(C)CC(=O)Nc1nc2ccc(F)c(F)c2n1C1(C)CCC1.CC(C)(C)CC(=O)Nc1nc2ccc(F)c(F)c2n1C1CCC1.CC1(n2c(NC(=O)C[C@@](C)(O)C3CC3)nc3ccc(F)c(F)c32)CCC1.Cc1ccc2nc(NC(=O)C[C@](C)(O)C3CC3)n(C(C)(C)C)c2c1.

What is the InChIKey of N-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3R)-3-cyclopropyl-N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxybutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

The InChIKey is HSHKCVCWIWLQNG-MLMWPJLYSA-N. The full InChI is InChI=1S/C19H23F2N3O2.C19H27N3O2.C18H23F2N3O.C17H21BrFN3O.C17H23BrFN3O.C17H21F2N3O.C17H23F2N3O/c1-18(8-3-9-18)24-16-13(7-6-12(20)15(16)21)22-17(24)23-14(25)10-19(2,26)11-4-5-11;1-12-6-9-14-15(10-12)22(18(2,3)4)17(20-14)21-16(23)11-19(5,24)13-7-8-13;1-17(2,3)10-13(24)22-16-21-12-7-6-11(19)14(20)15(12)23(16)18(4)8-5-9-18;1-17(2,3)9-14(23)20-16-21-15-12(19)7-10(18)8-13(15)22(16)11-5-4-6-11;1-16(2,3)9-13(23)20-15-21-14-11(19)7-10(18)8-12(14)22(15)17(4,5)6;1-17(2,3)9-13(23)21-16-20-12-8-7-11(18)14(19)15(12)22(16)10-5-4-6-10;1-16(2,3)9-12(23)21-15-20-11-8-7-10(18)13(19)14(11)22(15)17(4,5)6/h6-7,11,26H,3-5,8-10H2,1-2H3,(H,22,23,25);6,9-10,13,24H,7-8,11H2,1-5H3,(H,20,21,23);6-7H,5,8-10H2,1-4H3,(H,21,22,24);7-8,11H,4-6,9H2,1-3H3,(H,20,21,23);7-8H,9H2,1-6H3,(H,20,21,23);7-8,10H,4-6,9H2,1-3H3,(H,20,21,23);7-8H,9H2,1-6H3,(H,20,21,23)/t2*19-;;;;;/m10...../s1.

What are the key properties of N-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3R)-3-cyclopropyl-N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxybutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?

N-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3R)-3-cyclopropyl-N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxybutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 2439.58 g/mol, XLogP of 30.84, 22 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(6-bromo-1-cyclobutyl-4-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3S)-N-(1-tert-butyl-6-methylbenzimidazol-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;(3R)-3-cyclopropyl-N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxybutanamide;N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 158572853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).