5,5-bis(4-fluorophenyl)-2-(2-methoxyethylimino)-3-[3-[4-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidin-1-yl]propyl]imidazolidin-4-one

C34H39F5N4O2 — CID 142917336

IUPAC5,5-bis(4-fluorophenyl)-2-(2-methoxyethylimino)-3-[3-[4-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidin-1-yl]propyl]imidazolidin-4-one
SMILESCOCC/N=C1\NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(C2=CC=C(C(F)(F)F)CC2C)CC1
InChIInChI=1S/C34H39F5N4O2/c1-23-22-27(34(37,38)39)8-13-30(23)24-14-19-42(20-15-24)17-3-18-43-31(44)33(25-4-9-28(35)10-5-25,26-6-11-29(36)12-7-26)41-32(43)40-16-21-45-2/h4-13,23-24H,3,14-22H2,1-2H3,(H,40,41)
InChIKeyOWUGJXQCZILTPL-UHFFFAOYSA-N
MW630.70 g/mol
LogP6.20
Rot. Bonds10

About 5,5-bis(4-fluorophenyl)-2-(2-methoxyethylimino)-3-[3-[4-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidin-1-yl]propyl]imidazolidin-4-one

5,5-bis(4-fluorophenyl)-2-(2-methoxyethylimino)-3-[3-[4-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidin-1-yl]propyl]imidazolidin-4-one (PubChem CID 142917336) has the molecular formula C34H39F5N4O2 and a molecular weight of 630.70 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-(2-methoxyethylimino)-3-[3-[4-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidin-1-yl]propyl]imidazolidin-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-2-(2-methoxyethylimino)-3-[3-[4-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidin-1-yl]propyl]imidazolidin-4-one
PubChem CID142917336
Molecular FormulaC34H39F5N4O2
Molecular Weight630.70 g/mol
Exact Mass630.30
IUPAC Name5,5-bis(4-fluorophenyl)-2-(2-methoxyethylimino)-3-[3-[4-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidin-1-yl]propyl]imidazolidin-4-one
SMILESCOCC/N=C1\NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(C2=CC=C(C(F)(F)F)CC2C)CC1
InChIInChI=1S/C34H39F5N4O2/c1-23-22-27(34(37,38)39)8-13-30(23)24-14-19-42(20-15-24)17-3-18-43-31(44)33(25-4-9-28(35)10-5-25,26-6-11-29(36)12-7-26)41-32(43)40-16-21-45-2/h4-13,23-24H,3,14-22H2,1-2H3,(H,40,41)
InChIKeyOWUGJXQCZILTPL-UHFFFAOYSA-N
XLogP6.20
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.70
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-Imidazolidinedione, 5,5-diphenyl-3-(3-(4-morpholinyl)propyl)-
CID 206159
N-(4-Fluorobenzyl)-2-((4-oxo-5,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)amino)acetamide
CID 135401389
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-[4-(morpholine-4-carboximidoyl)piperazin-1-yl]-2-phenylacetamide
CID 22957286
5,5-Bis(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
CID 44294139
(5S)-5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 42317201
5-[1-(2,6-Difluorobenzoyl)-4-piperidinyl]-5-(4-fluorobenzyl)-3-(2-methoxyethyl)-2,4-imidazolidinedione
CID 45196029
N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-4-phenylimidazolidin-1-yl)piperidine-1-carboxamide
CID 11296041
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(N-tert-butyl-N'-ethylcarbamimidoyl)piperazin-1-yl]-N-methyl-2-phenylacetamide
CID 15872242
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]acetamide
CID 20678505
2-[4-(N,N'-dimethylcarbamimidoyl)piperazin-1-yl]-N-[2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenylacetamide
CID 22957266
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)piperidin-1-yl]-N-methyl-2-phenylacetamide
CID 22957271
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]acetamide
CID 22957289

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-2-(2-methoxyethylimino)-3-[3-[4-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidin-1-yl]propyl]imidazolidin-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-2-(2-methoxyethylimino)-3-[3-[4-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidin-1-yl]propyl]imidazolidin-4-one (CID 142917336) is 5,5-bis(4-fluorophenyl)-2-(2-methoxyethylimino)-3-[3-[4-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidin-1-yl]propyl]imidazolidin-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-2-(2-methoxyethylimino)-3-[3-[4-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidin-1-yl]propyl]imidazolidin-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-(2-methoxyethylimino)-3-[3-[4-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidin-1-yl]propyl]imidazolidin-4-one is COCC/N=C1\NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC(C2=CC=C(C(F)(F)F)CC2C)CC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-(2-methoxyethylimino)-3-[3-[4-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidin-1-yl]propyl]imidazolidin-4-one?
The InChIKey is OWUGJXQCZILTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39F5N4O2/c1-23-22-27(34(37,38)39)8-13-30(23)24-14-19-42(20-15-24)17-3-18-43-31(44)33(25-4-9-28(35)10-5-25,26-6-11-29(36)12-7-26)41-32(43)40-16-21-45-2/h4-13,23-24H,3,14-22H2,1-2H3,(H,40,41).
What are the key properties of 5,5-bis(4-fluorophenyl)-2-(2-methoxyethylimino)-3-[3-[4-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidin-1-yl]propyl]imidazolidin-4-one?
5,5-bis(4-fluorophenyl)-2-(2-methoxyethylimino)-3-[3-[4-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidin-1-yl]propyl]imidazolidin-4-one has a molecular weight of 630.70 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-2-(2-methoxyethylimino)-3-[3-[4-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidin-1-yl]propyl]imidazolidin-4-one is sourced from PubChem (CID 142917336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).