4-[2-[[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]sulfonyl]ethyl]morpholine

C30H30Cl2F3N3O4S — CID 11215959

About 4-[2-[[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]sulfonyl]ethyl]morpholine

4-[2-[[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]sulfonyl]ethyl]morpholine (PubChem CID 11215959) has the molecular formula C30H30Cl2F3N3O4S and a molecular weight of 656.55 g/mol. Its IUPAC name is 4-[2-[[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]sulfonyl]ethyl]morpholine.

Molecular Properties

• Compound Name: 4-[2-[[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]sulfonyl]ethyl]morpholine
• PubChem CID: 11215959
• Molecular Formula: C30H30Cl2F3N3O4S
• Molecular Weight: 656.55 g/mol
• Exact Mass: 655.13
• IUPAC Name: 4-[2-[[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]sulfonyl]ethyl]morpholine
• SMILES: CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1S(=O)(=O)CCN1CCOCC1
• InChI: InChI=1S/C30H30Cl2F3N3O4S/c1-2-42-26-19-22(30(33,34)35)7-12-25(26)29-36-27(20-3-8-23(31)9-4-20)28(21-5-10-24(32)11-6-21)38(29)43(39,40)18-15-37-13-16-41-17-14-37/h3-12,19,27-28H,2,13-18H2,1H3
• InChIKey: GMSJLGMZUXANJM-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 71.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.55
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[2-[[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]sulfonyl]ethyl]morpholine (CID 11215959) is 4-[2-[[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]sulfonyl]ethyl]morpholine.

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

The canonical SMILES for 4-[2-[[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]sulfonyl]ethyl]morpholine is CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1S(=O)(=O)CCN1CCOCC1.

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

The InChIKey is GMSJLGMZUXANJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2F3N3O4S/c1-2-42-26-19-22(30(33,34)35)7-12-25(26)29-36-27(20-3-8-23(31)9-4-20)28(21-5-10-24(32)11-6-21)38(29)43(39,40)18-15-37-13-16-41-17-14-37/h3-12,19,27-28H,2,13-18H2,1H3.

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

4-[2-[[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]sulfonyl]ethyl]morpholine has a molecular weight of 656.55 g/mol, XLogP of 6.62, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]sulfonyl]ethyl]morpholine is sourced from PubChem (CID 11215959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).