N-(2,2-difluoropropyl)-N-[[5-[4-[4-[2-[[2,2-difluoropropyl(methyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propanamide

C30H34F4N6O — CID 143630558

About N-(2,2-difluoropropyl)-N-[[5-[4-[4-[2-[[2,2-difluoropropyl(methyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propanamide

N-(2,2-difluoropropyl)-N-[[5-[4-[4-[2-[[2,2-difluoropropyl(methyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propanamide (PubChem CID 143630558) has the molecular formula C30H34F4N6O and a molecular weight of 570.64 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-N-[[5-[4-[4-[2-[[2,2-difluoropropyl(methyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: N-(2,2-difluoropropyl)-N-[[5-[4-[4-[2-[[2,2-difluoropropyl(methyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propanamide
• PubChem CID: 143630558
• Molecular Formula: C30H34F4N6O
• Molecular Weight: 570.64 g/mol
• Exact Mass: 570.27
• IUPAC Name: N-(2,2-difluoropropyl)-N-[[5-[4-[4-[2-[[2,2-difluoropropyl(methyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propanamide
• SMILES: CCC(=O)N(Cc1ncc(-c2ccc(-c3ccc(-c4cnc(CN(C)CC(C)(F)F)[nH]4)cc3)cc2)[nH]1)CC(C)(F)F
• InChI: InChI=1S/C30H34F4N6O/c1-5-28(41)40(19-30(3,33)34)17-27-36-15-25(38-27)23-12-8-21(9-13-23)20-6-10-22(11-7-20)24-14-35-26(37-24)16-39(4)18-29(2,31)32/h6-15H,5,16-19H2,1-4H3,(H,35,37)(H,36,38)
• InChIKey: RJYYLIOKYTVGAA-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 80.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.64
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-N-[[5-[4-[4-[2-[[2,2-difluoropropyl(methyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propanamide?

The IUPAC name of N-(2,2-difluoropropyl)-N-[[5-[4-[4-[2-[[2,2-difluoropropyl(methyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propanamide (CID 143630558) is N-(2,2-difluoropropyl)-N-[[5-[4-[4-[2-[[2,2-difluoropropyl(methyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propanamide.

What is the SMILES notation for N-(2,2-difluoropropyl)-N-[[5-[4-[4-[2-[[2,2-difluoropropyl(methyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propanamide?

The canonical SMILES for N-(2,2-difluoropropyl)-N-[[5-[4-[4-[2-[[2,2-difluoropropyl(methyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propanamide is CCC(=O)N(Cc1ncc(-c2ccc(-c3ccc(-c4cnc(CN(C)CC(C)(F)F)[nH]4)cc3)cc2)[nH]1)CC(C)(F)F.

What is the InChIKey of N-(2,2-difluoropropyl)-N-[[5-[4-[4-[2-[[2,2-difluoropropyl(methyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propanamide?

The InChIKey is RJYYLIOKYTVGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F4N6O/c1-5-28(41)40(19-30(3,33)34)17-27-36-15-25(38-27)23-12-8-21(9-13-23)20-6-10-22(11-7-20)24-14-35-26(37-24)16-39(4)18-29(2,31)32/h6-15H,5,16-19H2,1-4H3,(H,35,37)(H,36,38).

What are the key properties of N-(2,2-difluoropropyl)-N-[[5-[4-[4-[2-[[2,2-difluoropropyl(methyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propanamide?

N-(2,2-difluoropropyl)-N-[[5-[4-[4-[2-[[2,2-difluoropropyl(methyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propanamide has a molecular weight of 570.64 g/mol, XLogP of 6.61, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-difluoropropyl)-N-[[5-[4-[4-[2-[[2,2-difluoropropyl(methyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]propanamide is sourced from PubChem (CID 143630558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).