(5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione

C24H20N4O2 — CID 25345743

IUPAC(5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione
SMILESO=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cn2ccccc2n1
InChIInChI=1S/C24H20N4O2/c29-22-24(19-11-5-2-6-12-19,15-18-9-3-1-4-10-18)26-23(30)28(22)17-20-16-27-14-8-7-13-21(27)25-20/h1-14,16H,15,17H2,(H,26,30)/t24-/m0/s1
InChIKeyKKIPBLFBDAMFMX-DEOSSOPVSA-N
MW396.45 g/mol
LogP3.52
Rot. Bonds5

About (5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione

(5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione (PubChem CID 25345743) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is (5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione
PubChem CID25345743
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name(5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione
SMILESO=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cn2ccccc2n1
InChIInChI=1S/C24H20N4O2/c29-22-24(19-11-5-2-6-12-19,15-18-9-3-1-4-10-18)26-23(30)28(22)17-20-16-27-14-8-7-13-21(27)25-20/h1-14,16H,15,17H2,(H,26,30)/t24-/m0/s1
InChIKeyKKIPBLFBDAMFMX-DEOSSOPVSA-N
XLogP3.52
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-benzyl-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 9451754
(5S)-3-(1,3-benzothiazol-2-ylmethyl)-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 7300064
8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17391732
3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 17392520
(5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40971920
4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile
CID 3936185
(5S)-5-benzyl-3-[(2-chloroquinolin-3-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 29405208
3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 42918844
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64879027
(5S)-5-benzyl-3-phenacyl-5-phenylimidazolidine-2,4-dione
CID 7300137
(5R)-5-benzyl-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30553527
5-benzyl-3-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 17410774

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione (CID 25345743) is (5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione is O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cn2ccccc2n1.
What is the InChIKey of (5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione?
The InChIKey is KKIPBLFBDAMFMX-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-22-24(19-11-5-2-6-12-19,15-18-9-3-1-4-10-18)26-23(30)28(22)17-20-16-27-14-8-7-13-21(27)25-20/h1-14,16H,15,17H2,(H,26,30)/t24-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione?
(5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione has a molecular weight of 396.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 25345743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).