[5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid

C29H36ClF3N4O5 — CID 11227308

About [5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid

[5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 11227308) has the molecular formula C29H36ClF3N4O5 and a molecular weight of 613.08 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 11227308
• Molecular Formula: C29H36ClF3N4O5
• Molecular Weight: 613.08 g/mol
• Exact Mass: 612.23
• IUPAC Name: [5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid
• SMILES: CCCC1N=C(c2ccc(OC)cc2OC(C)C)N(C(=O)N2CCNCC2)C1c1ccc(Cl)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C27H35ClN4O3.C2HF3O2/c1-5-6-23-25(19-7-9-20(28)10-8-19)32(27(33)31-15-13-29-14-16-31)26(30-23)22-12-11-21(34-4)17-24(22)35-18(2)3;3-2(4,5)1(6)7/h7-12,17-18,23,25,29H,5-6,13-16H2,1-4H3;(H,6,7)
• InChIKey: RGMGQQCGDBFWKY-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 103.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.08
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid (CID 11227308) is [5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid is CCCC1N=C(c2ccc(OC)cc2OC(C)C)N(C(=O)N2CCNCC2)C1c1ccc(Cl)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of [5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid?

The InChIKey is RGMGQQCGDBFWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O3.C2HF3O2/c1-5-6-23-25(19-7-9-20(28)10-8-19)32(27(33)31-15-13-29-14-16-31)26(30-23)22-12-11-21(34-4)17-24(22)35-18(2)3;3-2(4,5)1(6)7/h7-12,17-18,23,25,29H,5-6,13-16H2,1-4H3;(H,6,7).

What are the key properties of [5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid?

[5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 613.08 g/mol, XLogP of 5.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11227308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).