7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone

C24H23Cl2N3O — CID 5173775

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone

7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 5173775) has the molecular formula C24H23Cl2N3O and a molecular weight of 440.37 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 5173775
• Molecular Formula: C24H23Cl2N3O
• Molecular Weight: 440.37 g/mol
• Exact Mass: 439.12
• IUPAC Name: 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: O=C(C1Cc2ccccc21)N1CCC(c2nccn2Cc2cc(Cl)ccc2Cl)CC1
• InChI: InChI=1S/C24H23Cl2N3O/c25-19-5-6-22(26)18(13-19)15-29-12-9-27-23(29)16-7-10-28(11-8-16)24(30)21-14-17-3-1-2-4-20(17)21/h1-6,9,12-13,16,21H,7-8,10-11,14-15H2
• InChIKey: OCXWTGWEILTCPX-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 38.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.37
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone (CID 5173775) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone is O=C(C1Cc2ccccc21)N1CCC(c2nccn2Cc2cc(Cl)ccc2Cl)CC1.

What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is OCXWTGWEILTCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O/c25-19-5-6-22(26)18(13-19)15-29-12-9-27-23(29)16-7-10-28(11-8-16)24(30)21-14-17-3-1-2-4-20(17)21/h1-6,9,12-13,16,21H,7-8,10-11,14-15H2.

What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone?

7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 440.37 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-[4-[1-[(2,5-dichlorophenyl)methyl]imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 5173775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).