(5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione

C24H20F3N5O3 — CID 118927727

IUPAC(5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione
SMILESC=C1c2cc(OC)ccc2CN1C[C@@]1(c2ccc(-n3ccc(C(F)(F)F)n3)cc2)NC(=O)NC1=O
InChIInChI=1S/C24H20F3N5O3/c1-14-19-11-18(35-2)8-3-15(19)12-31(14)13-23(21(33)28-22(34)29-23)16-4-6-17(7-5-16)32-10-9-20(30-32)24(25,26)27/h3-11H,1,12-13H2,2H3,(H2,28,29,33,34)/t23-/m0/s1
InChIKeyQIVIQACCJIDQAD-QHCPKHFHSA-N
MW483.45 g/mol
LogP3.42
Rot. Bonds5

About (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione

(5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione (PubChem CID 118927727) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione
PubChem CID118927727
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name(5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione
SMILESC=C1c2cc(OC)ccc2CN1C[C@@]1(c2ccc(-n3ccc(C(F)(F)F)n3)cc2)NC(=O)NC1=O
InChIInChI=1S/C24H20F3N5O3/c1-14-19-11-18(35-2)8-3-15(19)12-31(14)13-23(21(33)28-22(34)29-23)16-4-6-17(7-5-16)32-10-9-20(30-32)24(25,26)27/h3-11H,1,12-13H2,2H3,(H2,28,29,33,34)/t23-/m0/s1
InChIKeyQIVIQACCJIDQAD-QHCPKHFHSA-N
XLogP3.42
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione (CID 118927727) is (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione is C=C1c2cc(OC)ccc2CN1C[C@@]1(c2ccc(-n3ccc(C(F)(F)F)n3)cc2)NC(=O)NC1=O.
What is the InChIKey of (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione?
The InChIKey is QIVIQACCJIDQAD-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-14-19-11-18(35-2)8-3-15(19)12-31(14)13-23(21(33)28-22(34)29-23)16-4-6-17(7-5-16)32-10-9-20(30-32)24(25,26)27/h3-11H,1,12-13H2,2H3,(H2,28,29,33,34)/t23-/m0/s1.
What are the key properties of (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione?
(5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione has a molecular weight of 483.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 118927727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).