(5R)-5-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione

C11H8ClN3O2 — CID 125485004

IUPAC(5R)-5-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](c2c[nH]c3c(Cl)cccc23)N1
InChIInChI=1S/C11H8ClN3O2/c12-7-3-1-2-5-6(4-13-8(5)7)9-10(16)15-11(17)14-9/h1-4,9,13H,(H2,14,15,16,17)/t9-/m1/s1
InChIKeyUCZPETBJOAIKIO-SECBINFHSA-N
MW249.66 g/mol
LogP1.70
Rot. Bonds1

About (5R)-5-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione

(5R)-5-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione (PubChem CID 125485004) has the molecular formula C11H8ClN3O2 and a molecular weight of 249.66 g/mol. Its IUPAC name is (5R)-5-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione
PubChem CID125485004
Molecular FormulaC11H8ClN3O2
Molecular Weight249.66 g/mol
Exact Mass249.03
IUPAC Name(5R)-5-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](c2c[nH]c3c(Cl)cccc23)N1
InChIInChI=1S/C11H8ClN3O2/c12-7-3-1-2-5-6(4-13-8(5)7)9-10(16)15-11(17)14-9/h1-4,9,13H,(H2,14,15,16,17)/t9-/m1/s1
InChIKeyUCZPETBJOAIKIO-SECBINFHSA-N
XLogP1.70
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 51.70
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-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione (CID 125485004) is (5R)-5-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione is O=C1NC(=O)[C@@H](c2c[nH]c3c(Cl)cccc23)N1.
What is the InChIKey of (5R)-5-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione?
The InChIKey is UCZPETBJOAIKIO-SECBINFHSA-N. The full InChI is InChI=1S/C11H8ClN3O2/c12-7-3-1-2-5-6(4-13-8(5)7)9-10(16)15-11(17)14-9/h1-4,9,13H,(H2,14,15,16,17)/t9-/m1/s1.
What are the key properties of (5R)-5-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione?
(5R)-5-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione has a molecular weight of 249.66 g/mol, XLogP of 1.70, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 125485004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).