5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione

C13H12ClN3O2 — CID 86295625

IUPAC5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione
SMILES[2H]C([2H])([2H])N1C(=O)NC(Cc2c[nH]c3c(Cl)cccc23)C1=O
InChIInChI=1S/C13H12ClN3O2/c1-17-12(18)10(16-13(17)19)5-7-6-15-11-8(7)3-2-4-9(11)14/h2-4,6,10,15H,5H2,1H3,(H,16,19)/i1D3
InChIKeyWIKGAEMMNQTUGL-FIBGUPNXSA-N
MW280.73 g/mol
LogP1.91
Rot. Bonds3

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

5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione (PubChem CID 86295625) has the molecular formula C13H12ClN3O2 and a molecular weight of 280.73 g/mol. Its IUPAC name is 5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione
PubChem CID86295625
Molecular FormulaC13H12ClN3O2
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione
SMILES[2H]C([2H])([2H])N1C(=O)NC(Cc2c[nH]c3c(Cl)cccc23)C1=O
InChIInChI=1S/C13H12ClN3O2/c1-17-12(18)10(16-13(17)19)5-7-6-15-11-8(7)3-2-4-9(11)14/h2-4,6,10,15H,5H2,1H3,(H,16,19)/i1D3
InChIKeyWIKGAEMMNQTUGL-FIBGUPNXSA-N
XLogP1.91
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 51.91
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)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
CID 71110493
5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
CID 57377386
5-[(7-chloro-1H-indol-3-yl)methyl]-1,5-dideuterio-3-(deuteriomethyl)imidazolidine-2,4-dione
CID 86279587
(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopentylmethyl)imidazolidine-2,4-dione;(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(cyclopropylmethyl)imidazolidine-2,4-dione
CID 161010316
(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione;methane
CID 157075713
(5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-[(2,3-difluorophenyl)methyl]imidazolidine-2,4-dione
CID 121403142
phenyl 4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidine-1-carboxylate
CID 90448474
(5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane
CID 158503902
4-[4-[3-[4-[(7-chloro-1H-indol-3-yl)methyl]-2,5-dioxoimidazolidin-1-yl]propyl]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 86268839
2-(7-chloro-1H-indol-3-yl)acetamide
CID 10703607
(6R)-6-[(7-chloro-1H-indol-3-yl)methyl]-3-[(4-methylphenyl)methyl]-1,3,5-oxadiazepan-4-one
CID 137432161
(3R,6S)-1-benzyl-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
CID 57068910

Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione (CID 86295625) is 5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione is [2H]C([2H])([2H])N1C(=O)NC(Cc2c[nH]c3c(Cl)cccc23)C1=O.
What is the InChIKey of 5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione?
The InChIKey is WIKGAEMMNQTUGL-FIBGUPNXSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-17-12(18)10(16-13(17)19)5-7-6-15-11-8(7)3-2-4-9(11)14/h2-4,6,10,15H,5H2,1H3,(H,16,19)/i1D3.
What are the key properties of 5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione?
5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione has a molecular weight of 280.73 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 86295625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).