3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one

C27H33N5O — CID 23581521

About 3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one

3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one (PubChem CID 23581521) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is 3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one.

Molecular Properties

• Compound Name: 3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one
• PubChem CID: 23581521
• Molecular Formula: C27H33N5O
• Molecular Weight: 443.60 g/mol
• Exact Mass: 443.27
• IUPAC Name: 3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one
• SMILES: CCn1c(=O)n(C(C)C)c2ccc(-c3[nH]c(C4CCNCC4)nc3-c3cccc(C)c3)cc21
• InChI: InChI=1S/C27H33N5O/c1-5-31-23-16-21(9-10-22(23)32(17(2)3)27(31)33)25-24(20-8-6-7-18(4)15-20)29-26(30-25)19-11-13-28-14-12-19/h6-10,15-17,19,28H,5,11-14H2,1-4H3,(H,29,30)
• InChIKey: VNSNNVUIYYUZFX-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 67.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.60
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one?

The IUPAC name of 3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one (CID 23581521) is 3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one.

What is the SMILES notation for 3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one?

The canonical SMILES for 3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one is CCn1c(=O)n(C(C)C)c2ccc(-c3[nH]c(C4CCNCC4)nc3-c3cccc(C)c3)cc21.

What is the InChIKey of 3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one?

The InChIKey is VNSNNVUIYYUZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O/c1-5-31-23-16-21(9-10-22(23)32(17(2)3)27(31)33)25-24(20-8-6-7-18(4)15-20)29-26(30-25)19-11-13-28-14-12-19/h6-10,15-17,19,28H,5,11-14H2,1-4H3,(H,29,30).

What are the key properties of 3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one?

3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one has a molecular weight of 443.60 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one is sourced from PubChem (CID 23581521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).