5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione

C20H19N5O3S — CID 146263030

IUPAC5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione
SMILESCc1cc(COc2ccc(Sc3c(C4NC(=O)NC4=O)ncn3C)cc2)ccn1
InChIInChI=1S/C20H19N5O3S/c1-12-9-13(7-8-21-12)10-28-14-3-5-15(6-4-14)29-19-17(22-11-25(19)2)16-18(26)24-20(27)23-16/h3-9,11,16H,10H2,1-2H3,(H2,23,24,26,27)
InChIKeyHIUGBYRGXVBQTN-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.73
Rot. Bonds6

About 5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione

5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione (PubChem CID 146263030) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione
PubChem CID146263030
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione
SMILESCc1cc(COc2ccc(Sc3c(C4NC(=O)NC4=O)ncn3C)cc2)ccn1
InChIInChI=1S/C20H19N5O3S/c1-12-9-13(7-8-21-12)10-28-14-3-5-15(6-4-14)29-19-17(22-11-25(19)2)16-18(26)24-20(27)23-16/h3-9,11,16H,10H2,1-2H3,(H2,23,24,26,27)
InChIKeyHIUGBYRGXVBQTN-UHFFFAOYSA-N
XLogP2.73
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[2-fluoro-4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
CID 146262966
5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
CID 146263059
5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
CID 146262379
5-[3-[4-[[3-(hydroxymethyl)phenyl]methoxy]phenyl]sulfanyl-4-pyridinyl]imidazolidine-2,4-dione
CID 146263079
5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1-oxidopyridin-1-ium-3-yl]imidazolidine-2,4-dione
CID 176509444
5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
CID 146263009
5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
CID 67176968
(5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 708719
5-methylidene-3-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidin-2-one
CID 160828564
(5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione
CID 141182513
4-[(4-methylsulfanylphenoxy)methyl]pyridine-2-carbothioamide
CID 63880755
2-[2-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]-1,1-dioxo-3H-1,2-benzothiazol-3-yl]acetic acid
CID 59613917

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione (CID 146263030) is 5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione is Cc1cc(COc2ccc(Sc3c(C4NC(=O)NC4=O)ncn3C)cc2)ccn1.
What is the InChIKey of 5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione?
The InChIKey is HIUGBYRGXVBQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-12-9-13(7-8-21-12)10-28-14-3-5-15(6-4-14)29-19-17(22-11-25(19)2)16-18(26)24-20(27)23-16/h3-9,11,16H,10H2,1-2H3,(H2,23,24,26,27).
What are the key properties of 5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione?
5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione has a molecular weight of 409.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 146263030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).