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

C12H9Cl2N3O2 — CID 121403172

IUPAC(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](Cc2c[nH]c3c(Cl)ccc(Cl)c23)N1
InChIInChI=1S/C12H9Cl2N3O2/c13-6-1-2-7(14)10-9(6)5(4-15-10)3-8-11(18)17-12(19)16-8/h1-2,4,8,15H,3H2,(H2,16,17,18,19)/t8-/m1/s1
InChIKeyBAPIVVRHZOUOIM-MRVPVSSYSA-N
MW298.13 g/mol
LogP2.23
Rot. Bonds2

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

(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 121403172) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is (5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
PubChem CID121403172
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Name(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](Cc2c[nH]c3c(Cl)ccc(Cl)c23)N1
InChIInChI=1S/C12H9Cl2N3O2/c13-6-1-2-7(14)10-9(6)5(4-15-10)3-8-11(18)17-12(19)16-8/h1-2,4,8,15H,3H2,(H2,16,17,18,19)/t8-/m1/s1
InChIKeyBAPIVVRHZOUOIM-MRVPVSSYSA-N
XLogP2.23
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.23
H-Bond Donors ≤ 53
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 (5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione (CID 121403172) is (5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@@H](Cc2c[nH]c3c(Cl)ccc(Cl)c23)N1.
What is the InChIKey of (5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is BAPIVVRHZOUOIM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c13-6-1-2-7(14)10-9(6)5(4-15-10)3-8-11(18)17-12(19)16-8/h1-2,4,8,15H,3H2,(H2,16,17,18,19)/t8-/m1/s1.
What are the key properties of (5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 298.13 g/mol, XLogP of 2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121403172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).