(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

C20H14ClF4N3O2 — CID 121403155

IUPAC(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1Cc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C20H14ClF4N3O2/c21-14-6-2-4-12-11(8-26-17(12)14)7-15-18(29)28(19(30)27-15)9-10-3-1-5-13(16(10)22)20(23,24)25/h1-6,8,15,26H,7,9H2,(H,27,30)/t15-/m1/s1
InChIKeyLCPIAGIRJRZEIO-OAHLLOKOSA-N
MW439.80 g/mol
LogP4.64
Rot. Bonds4

About (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 121403155) has the molecular formula C20H14ClF4N3O2 and a molecular weight of 439.80 g/mol. Its IUPAC name is (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID121403155
Molecular FormulaC20H14ClF4N3O2
Molecular Weight439.80 g/mol
Exact Mass439.07
IUPAC Name(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESO=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1Cc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C20H14ClF4N3O2/c21-14-6-2-4-12-11(8-26-17(12)14)7-15-18(29)28(19(30)27-15)9-10-3-1-5-13(16(10)22)20(23,24)25/h1-6,8,15,26H,7,9H2,(H,27,30)/t15-/m1/s1
InChIKeyLCPIAGIRJRZEIO-OAHLLOKOSA-N
XLogP4.64
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.80
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(7-Chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
CID 11288934
Necrostatin-1s
CID 643953
3-benzyl-5-[(1H-indol-3-yl)methyl]imidazolidine-2,4-dione
CID 15288908
(5S)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methyl-2,4-dioxoimidazolidine-1-carbaldehyde
CID 168281441
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3980485
5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 3928273
Cl-Necrostatin-1
CID 5497099
(10S,15R)-13-butyl-10-(3-chlorophenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
CID 11761349
3-Methyl-5-[(7-methyl-1H-indol-3-yl)methyl]-2,4-imidazolidinedione
CID 44404799
5-[(7-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
CID 44404809
Necrostatin 2 S enantiomer
CID 44404825
3-butyl-5-[(7-chloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
CID 44404842

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (CID 121403155) is (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is O=C1N[C@H](Cc2c[nH]c3c(Cl)cccc23)C(=O)N1Cc1cccc(C(F)(F)F)c1F.
What is the InChIKey of (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is LCPIAGIRJRZEIO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H14ClF4N3O2/c21-14-6-2-4-12-11(8-26-17(12)14)7-15-18(29)28(19(30)27-15)9-10-3-1-5-13(16(10)22)20(23,24)25/h1-6,8,15,26H,7,9H2,(H,27,30)/t15-/m1/s1.
What are the key properties of (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 439.80 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121403155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).