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

C28H24ClF3N4O2 — CID 118880976

IUPAC4-[2-(2-chlorophenyl)-5-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
SMILESCc1cccc(C2C(c3ccc(C(F)(F)F)cc3)N=C(c3ccccc3Cl)N2C(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C28H24ClF3N4O2/c1-17-5-4-6-19(15-17)25-24(18-9-11-20(12-10-18)28(30,31)32)34-26(21-7-2-3-8-22(21)29)36(25)27(38)35-14-13-33-23(37)16-35/h2-12,15,24-25H,13-14,16H2,1H3,(H,33,37)
InChIKeyLOELDANQXLJTMM-UHFFFAOYSA-N
MW540.97 g/mol
LogP5.76
Rot. Bonds3

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

4-[2-(2-chlorophenyl)-5-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one (PubChem CID 118880976) has the molecular formula C28H24ClF3N4O2 and a molecular weight of 540.97 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)-5-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)-5-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
PubChem CID118880976
Molecular FormulaC28H24ClF3N4O2
Molecular Weight540.97 g/mol
Exact Mass540.15
IUPAC Name4-[2-(2-chlorophenyl)-5-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
SMILESCc1cccc(C2C(c3ccc(C(F)(F)F)cc3)N=C(c3ccccc3Cl)N2C(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C28H24ClF3N4O2/c1-17-5-4-6-19(15-17)25-24(18-9-11-20(12-10-18)28(30,31)32)34-26(21-7-2-3-8-22(21)29)36(25)27(38)35-14-13-33-23(37)16-35/h2-12,15,24-25H,13-14,16H2,1H3,(H,33,37)
InChIKeyLOELDANQXLJTMM-UHFFFAOYSA-N
XLogP5.76
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.97
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-({2-[3-(trifluoromethyl)phenyl]ethyl}amino)-1,2-dihydropyrazin-1-yl]acetamide
CID 10875598
N-[(4-carbamimidoylphenyl)methyl]-2-{5-chloro-2-oxo-3-[(2-phenylethyl)amino]-6-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazin-1-yl}acetamide
CID 11114562
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-({[3-(trifluoromethyl)phenyl]methyl}amino)-1,2-dihydropyrazin-1-yl]acetamide
CID 11146191
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-6-(2-chlorophenyl)-2-oxo-3-[(2-phenylethyl)amino]-1,2-dihydropyrazin-1-yl]acetamide
CID 11827739
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-[2-(2-chlorophenyl)ethylamino]-2-oxo-6-phenylpyrazin-1-yl]acetamide
CID 44353192
2-[3-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-1,2,4-triazol-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 58011663
2-[3-(2-chlorophenyl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58011722
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 58011737
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 58011748
2-[3-(4-chlorophenyl)-4-[(2-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]-N-[1-(2-fluorophenyl)ethyl]acetamide
CID 58011767
2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 58011770
2-[3-(4-chlorophenyl)-5-oxo-4-[(1R)-1-phenylethyl]-1,2,4-triazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 58011785

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)-5-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The IUPAC name of 4-[2-(2-chlorophenyl)-5-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one (CID 118880976) is 4-[2-(2-chlorophenyl)-5-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(2-chlorophenyl)-5-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[2-(2-chlorophenyl)-5-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one is Cc1cccc(C2C(c3ccc(C(F)(F)F)cc3)N=C(c3ccccc3Cl)N2C(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of 4-[2-(2-chlorophenyl)-5-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The InChIKey is LOELDANQXLJTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClF3N4O2/c1-17-5-4-6-19(15-17)25-24(18-9-11-20(12-10-18)28(30,31)32)34-26(21-7-2-3-8-22(21)29)36(25)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-[2-(2-chlorophenyl)-5-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
4-[2-(2-chlorophenyl)-5-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one has a molecular weight of 540.97 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)-5-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one is sourced from PubChem (CID 118880976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).