4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

C28H24ClF3N4O3 — CID 118883235

IUPAC4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
SMILESCOc1ccccc1C1=NC(c2ccc(C(F)(F)F)cc2)C(c2cccc(Cl)c2)N1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C28H24ClF3N4O3/c1-39-22-8-3-2-7-21(22)26-34-24(17-9-11-19(12-10-17)28(30,31)32)25(18-5-4-6-20(29)15-18)36(26)27(38)35-14-13-33-23(37)16-35/h2-12,15,24-25H,13-14,16H2,1H3,(H,33,37)
InChIKeyOVYBQZYTUDERPB-UHFFFAOYSA-N
MW556.97 g/mol
LogP5.46
Rot. Bonds4

About 4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one (PubChem CID 118883235) has the molecular formula C28H24ClF3N4O3 and a molecular weight of 556.97 g/mol. Its IUPAC name is 4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
PubChem CID118883235
Molecular FormulaC28H24ClF3N4O3
Molecular Weight556.97 g/mol
Exact Mass556.15
IUPAC Name4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
SMILESCOc1ccccc1C1=NC(c2ccc(C(F)(F)F)cc2)C(c2cccc(Cl)c2)N1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C28H24ClF3N4O3/c1-39-22-8-3-2-7-21(22)26-34-24(17-9-11-19(12-10-17)28(30,31)32)25(18-5-4-6-20(29)15-18)36(26)27(38)35-14-13-33-23(37)16-35/h2-12,15,24-25H,13-14,16H2,1H3,(H,33,37)
InChIKeyOVYBQZYTUDERPB-UHFFFAOYSA-N
XLogP5.46
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.97
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The IUPAC name of 4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one (CID 118883235) is 4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one is COc1ccccc1C1=NC(c2ccc(C(F)(F)F)cc2)C(c2cccc(Cl)c2)N1C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The InChIKey is OVYBQZYTUDERPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClF3N4O3/c1-39-22-8-3-2-7-21(22)26-34-24(17-9-11-19(12-10-17)28(30,31)32)25(18-5-4-6-20(29)15-18)36(26)27(38)35-14-13-33-23(37)16-35/h2-12,15,24-25H,13-14,16H2,1H3,(H,33,37).
What are the key properties of 4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one has a molecular weight of 556.97 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one is sourced from PubChem (CID 118883235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).