(5R)-5-(2-butoxy-4-methoxyphenyl)-4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(4-phenylphenyl)imidazolidin-2-one

C35H35FN2O4 — CID 71103613

IUPAC(5R)-5-(2-butoxy-4-methoxyphenyl)-4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(4-phenylphenyl)imidazolidin-2-one
SMILESCCCCOc1cc(OC)ccc1[C@@H]1C(C(C)C(=O)c2ccc(F)cc2)NC(=O)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C35H35FN2O4/c1-4-5-21-42-31-22-29(41-3)19-20-30(31)33-32(23(2)34(39)26-11-15-27(36)16-12-26)37-35(40)38(33)28-17-13-25(14-18-28)24-9-7-6-8-10-24/h6-20,22-23,32-33H,4-5,21H2,1-3H3,(H,37,40)/t23?,32?,33-/m1/s1
InChIKeyKCCIWNLBTXVMOF-IOMYLLGRSA-N
MW566.67 g/mol
LogP7.84
Rot. Bonds11

About (5R)-5-(2-butoxy-4-methoxyphenyl)-4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(4-phenylphenyl)imidazolidin-2-one

(5R)-5-(2-butoxy-4-methoxyphenyl)-4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(4-phenylphenyl)imidazolidin-2-one (PubChem CID 71103613) has the molecular formula C35H35FN2O4 and a molecular weight of 566.67 g/mol. Its IUPAC name is (5R)-5-(2-butoxy-4-methoxyphenyl)-4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(4-phenylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(2-butoxy-4-methoxyphenyl)-4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(4-phenylphenyl)imidazolidin-2-one
PubChem CID71103613
Molecular FormulaC35H35FN2O4
Molecular Weight566.67 g/mol
Exact Mass566.26
IUPAC Name(5R)-5-(2-butoxy-4-methoxyphenyl)-4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(4-phenylphenyl)imidazolidin-2-one
SMILESCCCCOc1cc(OC)ccc1[C@@H]1C(C(C)C(=O)c2ccc(F)cc2)NC(=O)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C35H35FN2O4/c1-4-5-21-42-31-22-29(41-3)19-20-30(31)33-32(23(2)34(39)26-11-15-27(36)16-12-26)37-35(40)38(33)28-17-13-25(14-18-28)24-9-7-6-8-10-24/h6-20,22-23,32-33H,4-5,21H2,1-3H3,(H,37,40)/t23?,32?,33-/m1/s1
InChIKeyKCCIWNLBTXVMOF-IOMYLLGRSA-N
XLogP7.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.67
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-4-(2,4-dibutoxyphenyl)-3-hydroxy-1-(4-phenylphenyl)azetidin-2-one
CID 71103580
(3R,4R)-1-[(2R)-2-(2-butoxy-4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-3,4-dimethoxypyrrolidine-2,5-dione
CID 70995033
ethane;4-(4-methoxy-2-phenylmethoxyphenyl)-1-(4-phenylphenyl)-3-sulfanylazetidin-2-one
CID 143652001
(3S,4R)-4-(4-bromo-2-butoxyphenyl)-3-hydroxy-1-(4-methoxyphenyl)azetidin-2-one
CID 71098030
[4-[4-[(4R,5S)-5-[3-(4-fluorophenyl)-3-oxopropyl]-2-oxo-3-(4-phenylphenyl)imidazolidin-4-yl]-3-hydroxyphenyl]phenyl]-hydroxy-dimethoxyphosphanium
CID 71103592
(4S,5S)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-5-(2-hydroxy-4-methoxyphenyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 71103903
(4S,5R)-4-[3-(4-fluorophenyl)-3-hydroxypropyl]-5-(2-hydroxy-4-methoxyphenyl)-1-(4-phenylphenyl)imidazolidine-2-thione
CID 143652063
(4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-pentoxyphenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108600703
(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
ethane;1-(4-fluorophenyl)prop-2-yn-1-one;3-(4-methoxyphenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 143671652
5-[4-(4-fluorophenyl)butyl]-4-(2-hydroxy-4-methoxyphenyl)-1-methyl-3-(4-phenylphenyl)imidazolidine-2-thione
CID 143651944
(4Z)-1-(4-fluorophenyl)-4-[hydroxy-(3-methyl-4-propoxyphenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108575526

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-butoxy-4-methoxyphenyl)-4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(4-phenylphenyl)imidazolidin-2-one?
The IUPAC name of (5R)-5-(2-butoxy-4-methoxyphenyl)-4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(4-phenylphenyl)imidazolidin-2-one (CID 71103613) is (5R)-5-(2-butoxy-4-methoxyphenyl)-4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(4-phenylphenyl)imidazolidin-2-one.
What is the SMILES notation for (5R)-5-(2-butoxy-4-methoxyphenyl)-4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(4-phenylphenyl)imidazolidin-2-one?
The canonical SMILES for (5R)-5-(2-butoxy-4-methoxyphenyl)-4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(4-phenylphenyl)imidazolidin-2-one is CCCCOc1cc(OC)ccc1[C@@H]1C(C(C)C(=O)c2ccc(F)cc2)NC(=O)N1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (5R)-5-(2-butoxy-4-methoxyphenyl)-4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(4-phenylphenyl)imidazolidin-2-one?
The InChIKey is KCCIWNLBTXVMOF-IOMYLLGRSA-N. The full InChI is InChI=1S/C35H35FN2O4/c1-4-5-21-42-31-22-29(41-3)19-20-30(31)33-32(23(2)34(39)26-11-15-27(36)16-12-26)37-35(40)38(33)28-17-13-25(14-18-28)24-9-7-6-8-10-24/h6-20,22-23,32-33H,4-5,21H2,1-3H3,(H,37,40)/t23?,32?,33-/m1/s1.
What are the key properties of (5R)-5-(2-butoxy-4-methoxyphenyl)-4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(4-phenylphenyl)imidazolidin-2-one?
(5R)-5-(2-butoxy-4-methoxyphenyl)-4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(4-phenylphenyl)imidazolidin-2-one has a molecular weight of 566.67 g/mol, XLogP of 7.84, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-butoxy-4-methoxyphenyl)-4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(4-phenylphenyl)imidazolidin-2-one is sourced from PubChem (CID 71103613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).