(5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione

C19H15F2N3O2 — CID 51532327

IUPAC(5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cccc(F)c1F
InChIInChI=1S/C19H15F2N3O2/c20-14-6-3-4-11(17(14)21)10-24-18(25)16(23-19(24)26)8-12-9-22-15-7-2-1-5-13(12)15/h1-7,9,16,22H,8,10H2,(H,23,26)/t16-/m0/s1
InChIKeyIIFGIDZAESWXCT-INIZCTEOSA-N
MW355.34 g/mol
LogP3.11
Rot. Bonds4

About (5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione

(5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 51532327) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is (5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID51532327
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC Name(5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cccc(F)c1F
InChIInChI=1S/C19H15F2N3O2/c20-14-6-3-4-11(17(14)21)10-24-18(25)16(23-19(24)26)8-12-9-22-15-7-2-1-5-13(12)15/h1-7,9,16,22H,8,10H2,(H,23,26)/t16-/m0/s1
InChIKeyIIFGIDZAESWXCT-INIZCTEOSA-N
XLogP3.11
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.11
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-(1H-indol-3-ylmethyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 2114779
(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione
CID 121403142
(5S)-5-(1H-indol-3-ylmethyl)-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2615738
(5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
CID 92535449
N-(2,6-difluorophenyl)-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 9170327
(5S)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 11744729
(5R)-3-[2-(4-fluorophenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 2100381
3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 17434228
(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 121403159
4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 24606105
(5R)-5-(1H-indol-3-ylmethyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 9208133
N-(3-fluorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51864114

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione (CID 51532327) is (5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione is O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cccc(F)c1F.
What is the InChIKey of (5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is IIFGIDZAESWXCT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c20-14-6-3-4-11(17(14)21)10-24-18(25)16(23-19(24)26)8-12-9-22-15-7-2-1-5-13(12)15/h1-7,9,16,22H,8,10H2,(H,23,26)/t16-/m0/s1.
What are the key properties of (5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
(5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 355.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 51532327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).