N-[(1S)-1-[5-[4-[3-(difluoromethyl)-4-[2-[(1S)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-methylcyclohexane-1-carboxamide

C43H56F2N6O2 — CID 134421576

About N-[(1S)-1-[5-[4-[3-(difluoromethyl)-4-[2-[(1S)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-methylcyclohexane-1-carboxamide

N-[(1S)-1-[5-[4-[3-(difluoromethyl)-4-[2-[(1S)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 134421576) has the molecular formula C43H56F2N6O2 and a molecular weight of 726.96 g/mol. Its IUPAC name is N-[(1S)-1-[5-[4-[3-(difluoromethyl)-4-[2-[(1S)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[5-[4-[3-(difluoromethyl)-4-[2-[(1S)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-methylcyclohexane-1-carboxamide
• PubChem CID: 134421576
• Molecular Formula: C43H56F2N6O2
• Molecular Weight: 726.96 g/mol
• Exact Mass: 726.44
• IUPAC Name: N-[(1S)-1-[5-[4-[3-(difluoromethyl)-4-[2-[(1S)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-methylcyclohexane-1-carboxamide
• SMILES: CC(C)[C@H](NC(=O)C1(C)CCCCC1)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)C5(C)CCCCC5)C(C)C)[nH]4)c(C(F)F)c3)cc2)[nH]1
• InChI: InChI=1S/C43H56F2N6O2/c1-26(2)35(50-40(52)42(5)19-9-7-10-20-42)38-46-24-33(48-38)29-15-13-28(14-16-29)30-17-18-31(32(23-30)37(44)45)34-25-47-39(49-34)36(27(3)4)51-41(53)43(6)21-11-8-12-22-43/h13-18,23-27,35-37H,7-12,19-22H2,1-6H3,(H,46,48)(H,47,49)(H,50,52)(H,51,53)/t35-,36-/m0/s1
• InChIKey: GFZUIVFOIXKAHJ-ZPGRZCPFSA-N
• XLogP: 10.64
• TPSA: 115.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.96
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-[4-[3-(difluoromethyl)-4-[2-[(1S)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-methylcyclohexane-1-carboxamide?

The IUPAC name of N-[(1S)-1-[5-[4-[3-(difluoromethyl)-4-[2-[(1S)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-methylcyclohexane-1-carboxamide (CID 134421576) is N-[(1S)-1-[5-[4-[3-(difluoromethyl)-4-[2-[(1S)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-methylcyclohexane-1-carboxamide.

What is the SMILES notation for N-[(1S)-1-[5-[4-[3-(difluoromethyl)-4-[2-[(1S)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-methylcyclohexane-1-carboxamide?

The canonical SMILES for N-[(1S)-1-[5-[4-[3-(difluoromethyl)-4-[2-[(1S)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-methylcyclohexane-1-carboxamide is CC(C)[C@H](NC(=O)C1(C)CCCCC1)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)C5(C)CCCCC5)C(C)C)[nH]4)c(C(F)F)c3)cc2)[nH]1.

What is the InChIKey of N-[(1S)-1-[5-[4-[3-(difluoromethyl)-4-[2-[(1S)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-methylcyclohexane-1-carboxamide?

The InChIKey is GFZUIVFOIXKAHJ-ZPGRZCPFSA-N. The full InChI is InChI=1S/C43H56F2N6O2/c1-26(2)35(50-40(52)42(5)19-9-7-10-20-42)38-46-24-33(48-38)29-15-13-28(14-16-29)30-17-18-31(32(23-30)37(44)45)34-25-47-39(49-34)36(27(3)4)51-41(53)43(6)21-11-8-12-22-43/h13-18,23-27,35-37H,7-12,19-22H2,1-6H3,(H,46,48)(H,47,49)(H,50,52)(H,51,53)/t35-,36-/m0/s1.

What are the key properties of N-[(1S)-1-[5-[4-[3-(difluoromethyl)-4-[2-[(1S)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-methylcyclohexane-1-carboxamide?

N-[(1S)-1-[5-[4-[3-(difluoromethyl)-4-[2-[(1S)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 726.96 g/mol, XLogP of 10.64, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[5-[4-[3-(difluoromethyl)-4-[2-[(1S)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 134421576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).