5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione

C13H11Cl2N3O2 — CID 57377386

IUPAC5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(Cc2c[nH]c3c(Cl)c(Cl)ccc23)C1=O
InChIInChI=1S/C13H11Cl2N3O2/c1-18-12(19)9(17-13(18)20)4-6-5-16-11-7(6)2-3-8(14)10(11)15/h2-3,5,9,16H,4H2,1H3,(H,17,20)
InChIKeyVIPNDTJRBNBNQJ-UHFFFAOYSA-N
MW312.16 g/mol
LogP2.57
Rot. Bonds2

About 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione

5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione (PubChem CID 57377386) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
PubChem CID57377386
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(Cc2c[nH]c3c(Cl)c(Cl)ccc23)C1=O
InChIInChI=1S/C13H11Cl2N3O2/c1-18-12(19)9(17-13(18)20)4-6-5-16-11-7(6)2-3-8(14)10(11)15/h2-3,5,9,16H,4H2,1H3,(H,17,20)
InChIKeyVIPNDTJRBNBNQJ-UHFFFAOYSA-N
XLogP2.57
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 52.57
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-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione (CID 57377386) is 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione is CN1C(=O)NC(Cc2c[nH]c3c(Cl)c(Cl)ccc23)C1=O.
What is the InChIKey of 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione?
The InChIKey is VIPNDTJRBNBNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c1-18-12(19)9(17-13(18)20)4-6-5-16-11-7(6)2-3-8(14)10(11)15/h2-3,5,9,16H,4H2,1H3,(H,17,20).
What are the key properties of 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione?
5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione has a molecular weight of 312.16 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 57377386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).