3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one

C30H28F3N5O2 — CID 4565425

About 3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 4565425) has the molecular formula C30H28F3N5O2 and a molecular weight of 547.58 g/mol. Its IUPAC name is 3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

• Compound Name: 3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
• PubChem CID: 4565425
• Molecular Formula: C30H28F3N5O2
• Molecular Weight: 547.58 g/mol
• Exact Mass: 547.22
• IUPAC Name: 3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
• SMILES: Cc1ccn2c(C(CC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)c3cccc(C(F)(F)F)c3)cnc2c1
• InChI: InChI=1S/C30H28F3N5O2/c1-19-9-14-37-26(18-34-27(37)15-19)23(20-5-4-6-21(16-20)30(31,32)33)17-28(39)36-12-10-22(11-13-36)38-25-8-3-2-7-24(25)35-29(38)40/h2-9,14-16,18,22-23H,10-13,17H2,1H3,(H,35,40)
• InChIKey: YSOAVHABUXHQGH-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 75.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.58
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?

The IUPAC name of 3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 4565425) is 3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one.

What is the SMILES notation for 3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?

The canonical SMILES for 3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one is Cc1ccn2c(C(CC(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)c3cccc(C(F)(F)F)c3)cnc2c1.

What is the InChIKey of 3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?

The InChIKey is YSOAVHABUXHQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N5O2/c1-19-9-14-37-26(18-34-27(37)15-19)23(20-5-4-6-21(16-20)30(31,32)33)17-28(39)36-12-10-22(11-13-36)38-25-8-3-2-7-24(25)35-29(38)40/h2-9,14-16,18,22-23H,10-13,17H2,1H3,(H,35,40).

What are the key properties of 3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?

3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 547.58 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 4565425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).