4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole

C24H23F3N4O — CID 42509081

About 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole

4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 42509081) has the molecular formula C24H23F3N4O and a molecular weight of 440.47 g/mol. Its IUPAC name is 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

• Compound Name: 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
• PubChem CID: 42509081
• Molecular Formula: C24H23F3N4O
• Molecular Weight: 440.47 g/mol
• Exact Mass: 440.18
• IUPAC Name: 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
• SMILES: Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCC(c2nc3ccccc3[nH]2)CC1
• InChI: InChI=1S/C24H23F3N4O/c1-15-21(30-23(32-15)17-5-4-6-18(13-17)24(25,26)27)14-31-11-9-16(10-12-31)22-28-19-7-2-3-8-20(19)29-22/h2-8,13,16H,9-12,14H2,1H3,(H,28,29)
• InChIKey: NFSPLSZEOIAUMF-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 57.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.47
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?

The IUPAC name of 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole (CID 42509081) is 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole.

What is the SMILES notation for 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?

The canonical SMILES for 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole is Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCC(c2nc3ccccc3[nH]2)CC1.

What is the InChIKey of 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?

The InChIKey is NFSPLSZEOIAUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O/c1-15-21(30-23(32-15)17-5-4-6-18(13-17)24(25,26)27)14-31-11-9-16(10-12-31)22-28-19-7-2-3-8-20(19)29-22/h2-8,13,16H,9-12,14H2,1H3,(H,28,29).

What are the key properties of 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?

4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 440.47 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 42509081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).