4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

C28H24ClF3N4O4S — CID 118880947

IUPAC4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
SMILESCS(=O)(=O)c1ccc(C2N=C(c3ccc(C(F)(F)F)cc3)N(C(=O)N3CCNC(=O)C3)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H24ClF3N4O4S/c1-41(39,40)22-12-6-17(7-13-22)24-25(18-4-10-21(29)11-5-18)36(27(38)35-15-14-33-23(37)16-35)26(34-24)19-2-8-20(9-3-19)28(30,31)32/h2-13,24-25H,14-16H2,1H3,(H,33,37)
InChIKeyGAFNLUNCJUGORH-UHFFFAOYSA-N
MW605.04 g/mol
LogP4.86
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one (PubChem CID 118880947) has the molecular formula C28H24ClF3N4O4S and a molecular weight of 605.04 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
PubChem CID118880947
Molecular FormulaC28H24ClF3N4O4S
Molecular Weight605.04 g/mol
Exact Mass604.12
IUPAC Name4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
SMILESCS(=O)(=O)c1ccc(C2N=C(c3ccc(C(F)(F)F)cc3)N(C(=O)N3CCNC(=O)C3)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H24ClF3N4O4S/c1-41(39,40)22-12-6-17(7-13-22)24-25(18-4-10-21(29)11-5-18)36(27(38)35-15-14-33-23(37)16-35)26(34-24)19-2-8-20(9-3-19)28(30,31)32/h2-13,24-25H,14-16H2,1H3,(H,33,37)
InChIKeyGAFNLUNCJUGORH-UHFFFAOYSA-N
XLogP4.86
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.04
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The IUPAC name of 4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one (CID 118880947) is 4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one is CS(=O)(=O)c1ccc(C2N=C(c3ccc(C(F)(F)F)cc3)N(C(=O)N3CCNC(=O)C3)C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The InChIKey is GAFNLUNCJUGORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClF3N4O4S/c1-41(39,40)22-12-6-17(7-13-22)24-25(18-4-10-21(29)11-5-18)36(27(38)35-15-14-33-23(37)16-35)26(34-24)19-2-8-20(9-3-19)28(30,31)32/h2-13,24-25H,14-16H2,1H3,(H,33,37).
What are the key properties of 4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one has a molecular weight of 605.04 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one is sourced from PubChem (CID 118880947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).