1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide

C25H30F3N5O5 — CID 167333858

About 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide

1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide (PubChem CID 167333858) has the molecular formula C25H30F3N5O5 and a molecular weight of 537.54 g/mol. Its IUPAC name is 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide.

Molecular Properties

• Compound Name: 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide
• PubChem CID: 167333858
• Molecular Formula: C25H30F3N5O5
• Molecular Weight: 537.54 g/mol
• Exact Mass: 537.22
• IUPAC Name: 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide
• SMILES: CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F)n1c(-c2ccccc2)cnc1C(N)=O
• InChI: InChI=1S/C25H30F3N5O5/c1-14(2)10-18(33-19(12-31-22(33)21(29)35)15-6-4-3-5-7-15)24(37)32-17(11-16-8-9-30-23(16)36)20(34)13-38-25(26,27)28/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H2,29,35)(H,30,36)(H,32,37)/t16-,17-,18-/m0/s1
• InChIKey: IOYVOASLUDGRIQ-BZSNNMDCSA-N
• XLogP: 2.35
• TPSA: 145.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.54
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide?

The IUPAC name of 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide (CID 167333858) is 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide.

What is the SMILES notation for 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide?

The canonical SMILES for 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide is CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F)n1c(-c2ccccc2)cnc1C(N)=O.

What is the InChIKey of 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide?

The InChIKey is IOYVOASLUDGRIQ-BZSNNMDCSA-N. The full InChI is InChI=1S/C25H30F3N5O5/c1-14(2)10-18(33-19(12-31-22(33)21(29)35)15-6-4-3-5-7-15)24(37)32-17(11-16-8-9-30-23(16)36)20(34)13-38-25(26,27)28/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H2,29,35)(H,30,36)(H,32,37)/t16-,17-,18-/m0/s1.

What are the key properties of 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide?

1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide has a molecular weight of 537.54 g/mol, XLogP of 2.35, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-5-phenylimidazole-2-carboxamide is sourced from PubChem (CID 167333858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).