(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 2828334
CID 2828334
CID 11288934
CID 11288934
CID 643953
CID 643953
CID 1550957
CID 1550957
CID 194580
CID 194580
CID 242867
CID 242867
CID 15288908
CID 15288908
CID 168281441
CID 168281441
CID 3980485
CID 3980485
CID 4566027
CID 4566027
CID 3928273
CID 3928273
CID 5497099
CID 5497099

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).