(5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione

C14H15ClN4O2S — CID 29358215

IUPAC(5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCSCC[C@H]1NC(=O)N(Cc2cn3cc(Cl)ccc3n2)C1=O
InChIInChI=1S/C14H15ClN4O2S/c1-22-5-4-11-13(20)19(14(21)17-11)8-10-7-18-6-9(15)2-3-12(18)16-10/h2-3,6-7,11H,4-5,8H2,1H3,(H,17,21)/t11-/m1/s1
InChIKeyGONAGAXVDGJMHJ-LLVKDONJSA-N
MW338.82 g/mol
LogP2.16
Rot. Bonds5

About (5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione

(5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione (PubChem CID 29358215) has the molecular formula C14H15ClN4O2S and a molecular weight of 338.82 g/mol. Its IUPAC name is (5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
PubChem CID29358215
Molecular FormulaC14H15ClN4O2S
Molecular Weight338.82 g/mol
Exact Mass338.06
IUPAC Name(5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
SMILESCSCC[C@H]1NC(=O)N(Cc2cn3cc(Cl)ccc3n2)C1=O
InChIInChI=1S/C14H15ClN4O2S/c1-22-5-4-11-13(20)19(14(21)17-11)8-10-7-18-6-9(15)2-3-12(18)16-10/h2-3,6-7,11H,4-5,8H2,1H3,(H,17,21)/t11-/m1/s1
InChIKeyGONAGAXVDGJMHJ-LLVKDONJSA-N
XLogP2.16
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione
CID 131122854
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17424171
2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 82148278
6-chloro-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117129074
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one
CID 22107793
(5R)-3-[2-(1-methylpyrazol-4-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 124506209
(5S)-3-[2-(4-bromopyrazol-1-yl)ethyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 95321024
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine
CID 56810616
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol
CID 62917347
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
CID 41492662
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one
CID 17451250
5-(2-methylsulfanylethyl)-3-(piperidin-4-ylmethyl)imidazolidine-2,4-dione
CID 82148838

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione (CID 29358215) is (5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione is CSCC[C@H]1NC(=O)N(Cc2cn3cc(Cl)ccc3n2)C1=O.
What is the InChIKey of (5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
The InChIKey is GONAGAXVDGJMHJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15ClN4O2S/c1-22-5-4-11-13(20)19(14(21)17-11)8-10-7-18-6-9(15)2-3-12(18)16-10/h2-3,6-7,11H,4-5,8H2,1H3,(H,17,21)/t11-/m1/s1.
What are the key properties of (5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione?
(5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione has a molecular weight of 338.82 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 29358215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).