2-(2,6-dichlorophenyl)-4-(5,5-difluoropentyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylic acid

C23H24Cl2F2N2O3 — CID 175539553

IUPAC2-(2,6-dichlorophenyl)-4-(5,5-difluoropentyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylic acid
SMILESC[C@H](c1ccccc1)N1C(CCCCC(F)F)C(=O)N(C(=O)O)C1c1c(Cl)cccc1Cl
InChIInChI=1S/C23H24Cl2F2N2O3/c1-14(15-8-3-2-4-9-15)28-18(12-5-6-13-19(26)27)22(30)29(23(31)32)21(28)20-16(24)10-7-11-17(20)25/h2-4,7-11,14,18-19,21H,5-6,12-13H2,1H3,(H,31,32)/t14-,18?,21?/m1/s1
InChIKeyFNSXTINYZCKQFQ-ZPTDFLPOSA-N
MW485.36 g/mol
LogP6.77
Rot. Bonds8

About 2-(2,6-dichlorophenyl)-4-(5,5-difluoropentyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylic acid

2-(2,6-dichlorophenyl)-4-(5,5-difluoropentyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylic acid (PubChem CID 175539553) has the molecular formula C23H24Cl2F2N2O3 and a molecular weight of 485.36 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-4-(5,5-difluoropentyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-4-(5,5-difluoropentyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylic acid
PubChem CID175539553
Molecular FormulaC23H24Cl2F2N2O3
Molecular Weight485.36 g/mol
Exact Mass484.11
IUPAC Name2-(2,6-dichlorophenyl)-4-(5,5-difluoropentyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylic acid
SMILESC[C@H](c1ccccc1)N1C(CCCCC(F)F)C(=O)N(C(=O)O)C1c1c(Cl)cccc1Cl
InChIInChI=1S/C23H24Cl2F2N2O3/c1-14(15-8-3-2-4-9-15)28-18(12-5-6-13-19(26)27)22(30)29(23(31)32)21(28)20-16(24)10-7-11-17(20)25/h2-4,7-11,14,18-19,21H,5-6,12-13H2,1H3,(H,31,32)/t14-,18?,21?/m1/s1
InChIKeyFNSXTINYZCKQFQ-ZPTDFLPOSA-N
XLogP6.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.36
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-6-chloro-N-(4,4-difluorobutyl)-3-oxo-2-(1-phenylethyl)-1H-isoindole-1-carboxamide
CID 24966310
(2S)-2-(2,6-dichlorophenyl)-1-[(1R)-1-phenylethyl]imidazolidin-4-one;prop-2-enyl (2R)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate
CID 158112790
1-(1-phenylethyl)azetidine-3-carboxylic acid
CID 65071589
1-[1-(3-chlorophenyl)ethyl]azetidine-3-carboxylic acid
CID 65071836
(3S)-N-(4-bromo-3-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1218744
ethyl 1-[(3S,4S)-4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate
CID 174422513
1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]hexadecan-1-one
CID 11783983
[2-(2-chloroanilino)-2-oxoethyl] (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 124580912
[2-(2-chloroanilino)-2-oxoethyl] (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 124580915
dimethyl (2R,4S)-1-(1-phenylethyl)azetidine-2,4-dicarboxylate
CID 54060167
(2S,3R)-2-amino-3-hydroxy-5-phenylpentanoic acid;tert-butyl (2R,4S)-2-(2,6-dichlorophenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;tert-butyl (2R)-2-(2,6-dichlorophenyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylate;(2S,3R)-3-hydroxy-5-phenyl-2-[[(1R)-1-phenylethyl]amino]pentanoic acid;3-phenylpropanal
CID 158846738
(3R)-2-butyl-3-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CID 68861605

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-4-(5,5-difluoropentyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylic acid?
The IUPAC name of 2-(2,6-dichlorophenyl)-4-(5,5-difluoropentyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylic acid (CID 175539553) is 2-(2,6-dichlorophenyl)-4-(5,5-difluoropentyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylic acid.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-4-(5,5-difluoropentyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylic acid?
The canonical SMILES for 2-(2,6-dichlorophenyl)-4-(5,5-difluoropentyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylic acid is C[C@H](c1ccccc1)N1C(CCCCC(F)F)C(=O)N(C(=O)O)C1c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-4-(5,5-difluoropentyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylic acid?
The InChIKey is FNSXTINYZCKQFQ-ZPTDFLPOSA-N. The full InChI is InChI=1S/C23H24Cl2F2N2O3/c1-14(15-8-3-2-4-9-15)28-18(12-5-6-13-19(26)27)22(30)29(23(31)32)21(28)20-16(24)10-7-11-17(20)25/h2-4,7-11,14,18-19,21H,5-6,12-13H2,1H3,(H,31,32)/t14-,18?,21?/m1/s1.
What are the key properties of 2-(2,6-dichlorophenyl)-4-(5,5-difluoropentyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylic acid?
2-(2,6-dichlorophenyl)-4-(5,5-difluoropentyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylic acid has a molecular weight of 485.36 g/mol, XLogP of 6.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-4-(5,5-difluoropentyl)-5-oxo-3-[(1R)-1-phenylethyl]imidazolidine-1-carboxylic acid is sourced from PubChem (CID 175539553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).