N-[[6-[6-[2-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide

C36H36F4N6O2 — CID 134421447

About N-[[6-[6-[2-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide

N-[[6-[6-[2-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 134421447) has the molecular formula C36H36F4N6O2 and a molecular weight of 660.72 g/mol. Its IUPAC name is N-[[6-[6-[2-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[6-[6-[2-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide
• PubChem CID: 134421447
• Molecular Formula: C36H36F4N6O2
• Molecular Weight: 660.72 g/mol
• Exact Mass: 660.28
• IUPAC Name: N-[[6-[6-[2-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide
• SMILES: O=C(NCc1ncc(-c2ccc3cc(-c4ccc5nc(CNC(=O)C6CCC(F)(F)CC6)[nH]c5c4)ccc3c2)[nH]1)C1CCC(F)(F)CC1
• InChI: InChI=1S/C36H36F4N6O2/c37-35(38)11-7-21(8-12-35)33(47)42-19-31-41-18-30(46-31)27-4-3-23-15-24(1-2-25(23)16-27)26-5-6-28-29(17-26)45-32(44-28)20-43-34(48)22-9-13-36(39,40)14-10-22/h1-6,15-18,21-22H,7-14,19-20H2,(H,41,46)(H,42,47)(H,43,48)(H,44,45)
• InChIKey: IVYQJROKCDXJII-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 115.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.72
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[6-[6-[2-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide?

The IUPAC name of N-[[6-[6-[2-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide (CID 134421447) is N-[[6-[6-[2-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide.

What is the SMILES notation for N-[[6-[6-[2-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide?

The canonical SMILES for N-[[6-[6-[2-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide is O=C(NCc1ncc(-c2ccc3cc(-c4ccc5nc(CNC(=O)C6CCC(F)(F)CC6)[nH]c5c4)ccc3c2)[nH]1)C1CCC(F)(F)CC1.

What is the InChIKey of N-[[6-[6-[2-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide?

The InChIKey is IVYQJROKCDXJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36F4N6O2/c37-35(38)11-7-21(8-12-35)33(47)42-19-31-41-18-30(46-31)27-4-3-23-15-24(1-2-25(23)16-27)26-5-6-28-29(17-26)45-32(44-28)20-43-34(48)22-9-13-36(39,40)14-10-22/h1-6,15-18,21-22H,7-14,19-20H2,(H,41,46)(H,42,47)(H,43,48)(H,44,45).

What are the key properties of N-[[6-[6-[2-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide?

N-[[6-[6-[2-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 660.72 g/mol, XLogP of 7.66, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[6-[2-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]-1H-imidazol-5-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]methyl]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 134421447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).