4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

C27H24ClFN4O2 — CID 118880928

IUPAC4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
SMILESCc1cccc(C2=NC(c3ccc(Cl)cc3)C(c3cccc(F)c3)N2C(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C27H24ClFN4O2/c1-17-4-2-6-20(14-17)26-31-24(18-8-10-21(28)11-9-18)25(19-5-3-7-22(29)15-19)33(26)27(35)32-13-12-30-23(34)16-32/h2-11,14-15,24-25H,12-13,16H2,1H3,(H,30,34)
InChIKeyTUDIEXOBHOUGAQ-UHFFFAOYSA-N
MW490.97 g/mol
LogP4.88
Rot. Bonds3

About 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one (PubChem CID 118880928) has the molecular formula C27H24ClFN4O2 and a molecular weight of 490.97 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
PubChem CID118880928
Molecular FormulaC27H24ClFN4O2
Molecular Weight490.97 g/mol
Exact Mass490.16
IUPAC Name4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
SMILESCc1cccc(C2=NC(c3ccc(Cl)cc3)C(c3cccc(F)c3)N2C(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C27H24ClFN4O2/c1-17-4-2-6-20(14-17)26-31-24(18-8-10-21(28)11-9-18)25(19-5-3-7-22(29)15-19)33(26)27(35)32-13-12-30-23(34)16-32/h2-11,14-15,24-25H,12-13,16H2,1H3,(H,30,34)
InChIKeyTUDIEXOBHOUGAQ-UHFFFAOYSA-N
XLogP4.88
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The IUPAC name of 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one (CID 118880928) is 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one is Cc1cccc(C2=NC(c3ccc(Cl)cc3)C(c3cccc(F)c3)N2C(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The InChIKey is TUDIEXOBHOUGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN4O2/c1-17-4-2-6-20(14-17)26-31-24(18-8-10-21(28)11-9-18)25(19-5-3-7-22(29)15-19)33(26)27(35)32-13-12-30-23(34)16-32/h2-11,14-15,24-25H,12-13,16H2,1H3,(H,30,34).
What are the key properties of 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one has a molecular weight of 490.97 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one is sourced from PubChem (CID 118880928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).