N-[[4-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-(oxan-4-yl)methyl]-N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide

C30H34F4N4O3 — CID 123799278

About N-[[4-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-(oxan-4-yl)methyl]-N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide

N-[[4-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-(oxan-4-yl)methyl]-N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide (PubChem CID 123799278) has the molecular formula C30H34F4N4O3 and a molecular weight of 574.62 g/mol. Its IUPAC name is N-[[4-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-(oxan-4-yl)methyl]-N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide.

Molecular Properties

• Compound Name: N-[[4-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-(oxan-4-yl)methyl]-N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide
• PubChem CID: 123799278
• Molecular Formula: C30H34F4N4O3
• Molecular Weight: 574.62 g/mol
• Exact Mass: 574.26
• IUPAC Name: N-[[4-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-(oxan-4-yl)methyl]-N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide
• SMILES: CC(O)C(=O)N(CC1CNCC1F)C(c1nc(-c2cc(F)ccc2F)cn1Cc1cccc(F)c1)C1CCOCC1
• InChI: InChI=1S/C30H34F4N4O3/c1-18(39)30(40)38(16-21-13-35-14-26(21)34)28(20-7-9-41-10-8-20)29-36-27(24-12-23(32)5-6-25(24)33)17-37(29)15-19-3-2-4-22(31)11-19/h2-6,11-12,17-18,20-21,26,28,35,39H,7-10,13-16H2,1H3
• InChIKey: DAXNZQVOUXDJDI-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 79.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.62
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-(oxan-4-yl)methyl]-N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide?

The IUPAC name of N-[[4-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-(oxan-4-yl)methyl]-N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide (CID 123799278) is N-[[4-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-(oxan-4-yl)methyl]-N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide.

What is the SMILES notation for N-[[4-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-(oxan-4-yl)methyl]-N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide?

The canonical SMILES for N-[[4-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-(oxan-4-yl)methyl]-N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide is CC(O)C(=O)N(CC1CNCC1F)C(c1nc(-c2cc(F)ccc2F)cn1Cc1cccc(F)c1)C1CCOCC1.

What is the InChIKey of N-[[4-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-(oxan-4-yl)methyl]-N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide?

The InChIKey is DAXNZQVOUXDJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F4N4O3/c1-18(39)30(40)38(16-21-13-35-14-26(21)34)28(20-7-9-41-10-8-20)29-36-27(24-12-23(32)5-6-25(24)33)17-37(29)15-19-3-2-4-22(31)11-19/h2-6,11-12,17-18,20-21,26,28,35,39H,7-10,13-16H2,1H3.

What are the key properties of N-[[4-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-(oxan-4-yl)methyl]-N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide?

N-[[4-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-(oxan-4-yl)methyl]-N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide has a molecular weight of 574.62 g/mol, XLogP of 4.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-(oxan-4-yl)methyl]-N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide is sourced from PubChem (CID 123799278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).