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

C13H11ClFN3O2 — CID 121393627

IUPAC(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C1=O
InChIInChI=1S/C13H11ClFN3O2/c1-18-12(19)9(17-13(18)20)4-6-5-16-11-7(6)2-3-8(15)10(11)14/h2-3,5,9,16H,4H2,1H3,(H,17,20)/t9-/m1/s1
InChIKeyBCTSGIVMFVGZSI-SECBINFHSA-N
MW295.70 g/mol
LogP2.05
Rot. Bonds2

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

(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione (PubChem CID 121393627) has the molecular formula C13H11ClFN3O2 and a molecular weight of 295.70 g/mol. Its IUPAC name is (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
PubChem CID121393627
Molecular FormulaC13H11ClFN3O2
Molecular Weight295.70 g/mol
Exact Mass295.05
IUPAC Name(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C1=O
InChIInChI=1S/C13H11ClFN3O2/c1-18-12(19)9(17-13(18)20)4-6-5-16-11-7(6)2-3-8(15)10(11)14/h2-3,5,9,16H,4H2,1H3,(H,17,20)/t9-/m1/s1
InChIKeyBCTSGIVMFVGZSI-SECBINFHSA-N
XLogP2.05
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 52.05
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 (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione (CID 121393627) is (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione is CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)c(F)ccc23)C1=O.
What is the InChIKey of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione?
The InChIKey is BCTSGIVMFVGZSI-SECBINFHSA-N. The full InChI is InChI=1S/C13H11ClFN3O2/c1-18-12(19)9(17-13(18)20)4-6-5-16-11-7(6)2-3-8(15)10(11)14/h2-3,5,9,16H,4H2,1H3,(H,17,20)/t9-/m1/s1.
What are the key properties of (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione?
(5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione has a molecular weight of 295.70 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(7-chloro-6-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 121393627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).