[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[2-(dipropylamino)ethyl]piperazin-1-yl]methanone

C37H44Cl2F3N5O2 — CID 11445504

About [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[2-(dipropylamino)ethyl]piperazin-1-yl]methanone

[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[2-(dipropylamino)ethyl]piperazin-1-yl]methanone (PubChem CID 11445504) has the molecular formula C37H44Cl2F3N5O2 and a molecular weight of 718.69 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[2-(dipropylamino)ethyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[2-(dipropylamino)ethyl]piperazin-1-yl]methanone
• PubChem CID: 11445504
• Molecular Formula: C37H44Cl2F3N5O2
• Molecular Weight: 718.69 g/mol
• Exact Mass: 717.28
• IUPAC Name: [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[2-(dipropylamino)ethyl]piperazin-1-yl]methanone
• SMILES: CCCN(CCC)CCN1CCN(C(=O)N2C(c3ccc(C(F)(F)F)cc3OCC)=NC(c3ccc(Cl)cc3)C2c2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C37H44Cl2F3N5O2/c1-4-17-44(18-5-2)19-20-45-21-23-46(24-22-45)36(48)47-34(27-9-14-30(39)15-10-27)33(26-7-12-29(38)13-8-26)43-35(47)31-16-11-28(37(40,41)42)25-32(31)49-6-3/h7-16,25,33-34H,4-6,17-24H2,1-3H3
• InChIKey: IBZXBAGFPOOVFD-UHFFFAOYSA-N
• XLogP: 8.82
• TPSA: 51.62 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.69
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[2-(dipropylamino)ethyl]piperazin-1-yl]methanone?

The IUPAC name of [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[2-(dipropylamino)ethyl]piperazin-1-yl]methanone (CID 11445504) is [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[2-(dipropylamino)ethyl]piperazin-1-yl]methanone.

What is the SMILES notation for [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[2-(dipropylamino)ethyl]piperazin-1-yl]methanone?

The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[2-(dipropylamino)ethyl]piperazin-1-yl]methanone is CCCN(CCC)CCN1CCN(C(=O)N2C(c3ccc(C(F)(F)F)cc3OCC)=NC(c3ccc(Cl)cc3)C2c2ccc(Cl)cc2)CC1.

What is the InChIKey of [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[2-(dipropylamino)ethyl]piperazin-1-yl]methanone?

The InChIKey is IBZXBAGFPOOVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44Cl2F3N5O2/c1-4-17-44(18-5-2)19-20-45-21-23-46(24-22-45)36(48)47-34(27-9-14-30(39)15-10-27)33(26-7-12-29(38)13-8-26)43-35(47)31-16-11-28(37(40,41)42)25-32(31)49-6-3/h7-16,25,33-34H,4-6,17-24H2,1-3H3.

What are the key properties of [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[2-(dipropylamino)ethyl]piperazin-1-yl]methanone?

[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[2-(dipropylamino)ethyl]piperazin-1-yl]methanone has a molecular weight of 718.69 g/mol, XLogP of 8.82, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-[2-(dipropylamino)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 11445504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).