N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide

C30H31F2N3O2 — CID 67371589

About N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide

N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide (PubChem CID 67371589) has the molecular formula C30H31F2N3O2 and a molecular weight of 503.59 g/mol. Its IUPAC name is N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide
• PubChem CID: 67371589
• Molecular Formula: C30H31F2N3O2
• Molecular Weight: 503.59 g/mol
• Exact Mass: 503.24
• IUPAC Name: N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide
• SMILES: CO[C@H](c1ccccc1)c1nc2cc(F)c(F)cc2n1C(C(=O)NCc1ccccc1)C1CCCCC1
• InChI: InChI=1S/C30H31F2N3O2/c1-37-28(22-15-9-4-10-16-22)29-34-25-17-23(31)24(32)18-26(25)35(29)27(21-13-7-3-8-14-21)30(36)33-19-20-11-5-2-6-12-20/h2,4-6,9-12,15-18,21,27-28H,3,7-8,13-14,19H2,1H3,(H,33,36)/t27?,28-/m1/s1
• InChIKey: ZIOCLZICFPITQK-PLYLYKGUSA-N
• XLogP: 6.49
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.59
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide?

The IUPAC name of N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide (CID 67371589) is N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide.

What is the SMILES notation for N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide?

The canonical SMILES for N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide is CO[C@H](c1ccccc1)c1nc2cc(F)c(F)cc2n1C(C(=O)NCc1ccccc1)C1CCCCC1.

What is the InChIKey of N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide?

The InChIKey is ZIOCLZICFPITQK-PLYLYKGUSA-N. The full InChI is InChI=1S/C30H31F2N3O2/c1-37-28(22-15-9-4-10-16-22)29-34-25-17-23(31)24(32)18-26(25)35(29)27(21-13-7-3-8-14-21)30(36)33-19-20-11-5-2-6-12-20/h2,4-6,9-12,15-18,21,27-28H,3,7-8,13-14,19H2,1H3,(H,33,36)/t27?,28-/m1/s1.

What are the key properties of N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide?

N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 503.59 g/mol, XLogP of 6.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-cyclohexyl-2-[5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 67371589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).