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

C13H12ClN3O2 — CID 643953

IUPAC5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=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)
InChIKeyWIKGAEMMNQTUGL-UHFFFAOYSA-N
MW277.71 g/mol
LogP1.91
Rot. Bonds2

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

5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione (PubChem CID 643953) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
PubChem CID643953
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=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)
InChIKeyWIKGAEMMNQTUGL-UHFFFAOYSA-N
XLogP1.91
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
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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Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione (CID 643953) is 5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione is CN1C(=O)NC(Cc2c[nH]c3c(Cl)cccc23)C1=O.
What is the InChIKey of 5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione?
The InChIKey is WIKGAEMMNQTUGL-UHFFFAOYSA-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).
What are the key properties of 5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione?
5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione has a molecular weight of 277.71 g/mol, XLogP of 1.91, 2 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-methylimidazolidine-2,4-dione is sourced from PubChem (CID 643953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).