(2S,4S,6S)-2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-ol

C24H26F6N4O2 — CID 177304434

About (2S,4S,6S)-2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-ol

(2S,4S,6S)-2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-ol (PubChem CID 177304434) has the molecular formula C24H26F6N4O2 and a molecular weight of 516.49 g/mol. Its IUPAC name is (2S,4S,6S)-2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-ol.

Molecular Properties

• Compound Name: (2S,4S,6S)-2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-ol
• PubChem CID: 177304434
• Molecular Formula: C24H26F6N4O2
• Molecular Weight: 516.49 g/mol
• Exact Mass: 516.20
• IUPAC Name: (2S,4S,6S)-2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-ol
• SMILES: CC(C)n1cnc2cc(OC[C@@H]3C[C@](O)(c4ccc(C(F)(F)F)nc4)C[C@H](C)N3)cc(C(F)(F)F)c21
• InChI: InChI=1S/C24H26F6N4O2/c1-13(2)34-12-32-19-7-17(6-18(21(19)34)23(25,26)27)36-11-16-9-22(35,8-14(3)33-16)15-4-5-20(31-10-15)24(28,29)30/h4-7,10,12-14,16,33,35H,8-9,11H2,1-3H3/t14-,16-,22-/m0/s1
• InChIKey: FZGZFVUDRFSHPC-DDVAMESESA-N
• XLogP: 5.46
• TPSA: 72.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.49
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-ol?

The IUPAC name of (2S,4S,6S)-2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-ol (CID 177304434) is (2S,4S,6S)-2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-ol.

What is the SMILES notation for (2S,4S,6S)-2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-ol?

The canonical SMILES for (2S,4S,6S)-2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-ol is CC(C)n1cnc2cc(OC[C@@H]3C[C@](O)(c4ccc(C(F)(F)F)nc4)C[C@H](C)N3)cc(C(F)(F)F)c21.

What is the InChIKey of (2S,4S,6S)-2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-ol?

The InChIKey is FZGZFVUDRFSHPC-DDVAMESESA-N. The full InChI is InChI=1S/C24H26F6N4O2/c1-13(2)34-12-32-19-7-17(6-18(21(19)34)23(25,26)27)36-11-16-9-22(35,8-14(3)33-16)15-4-5-20(31-10-15)24(28,29)30/h4-7,10,12-14,16,33,35H,8-9,11H2,1-3H3/t14-,16-,22-/m0/s1.

What are the key properties of (2S,4S,6S)-2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-ol?

(2S,4S,6S)-2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-ol has a molecular weight of 516.49 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S,6S)-2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 177304434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).