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

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

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Related Compounds

4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 122606268
4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880874
4-[5-(3-chlorophenyl)-2,4-bis[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880975
4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-1-(3-oxopiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxybenzonitrile
CID 123429964
4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880931
4-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880947
4-[5-(3-chlorophenyl)-2-(2-methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118883235
1-[2,5-bis(3-chlorophenyl)-4-(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-1,3-diazinan-4-one
CID 146587589
4-[[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-hydroxymethyl]piperazin-2-one
CID 146587578
4-[(4S,5R)-4-(4-chlorophenyl)-1-(3-oxopiperazine-1-carbonyl)-5-phenyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxybenzonitrile
CID 118548189
4-[(4R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 71023979
4-[(4R,5S)-4-(3,4-dimethylphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 95065700

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).