N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

C25H21N5O3S — CID 39592143

IUPACN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C25H21N5O3S/c31-23-13-26-25(33)30(23)14-17-4-3-5-19(12-17)28-24(32)18-7-9-21(10-8-18)34-16-20-15-29-11-2-1-6-22(29)27-20/h1-12,15H,13-14,16H2,(H,26,33)(H,28,32)
InChIKeyMMZGCGFZOAKELY-UHFFFAOYSA-N
MW471.54 g/mol
LogP3.93
Rot. Bonds7

About N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (PubChem CID 39592143) has the molecular formula C25H21N5O3S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
PubChem CID39592143
Molecular FormulaC25H21N5O3S
Molecular Weight471.54 g/mol
Exact Mass471.14
IUPAC NameN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C25H21N5O3S/c31-23-13-26-25(33)30(23)14-17-4-3-5-19(12-17)28-24(32)18-7-9-21(10-8-18)34-16-20-15-29-11-2-1-6-22(29)27-20/h1-12,15H,13-14,16H2,(H,26,33)(H,28,32)
InChIKeyMMZGCGFZOAKELY-UHFFFAOYSA-N
XLogP3.93
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
CID 55859593
N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide
CID 46514327
N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
N-[3-(dimethylsulfamoyl)phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 35375390
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
4-(4-bromopyrazol-1-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 55635640
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037219
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)benzamide
CID 31758464
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 55516145
N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134046116
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55617109
N-(2-chloro-4-fluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 55515874

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (CID 39592143) is N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(SCc2cn3ccccc3n2)cc1.
What is the InChIKey of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The InChIKey is MMZGCGFZOAKELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3S/c31-23-13-26-25(33)30(23)14-17-4-3-5-19(12-17)28-24(32)18-7-9-21(10-8-18)34-16-20-15-29-11-2-1-6-22(29)27-20/h1-12,15H,13-14,16H2,(H,26,33)(H,28,32).
What are the key properties of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide has a molecular weight of 471.54 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 39592143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).