4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide

C24H24N4O2 — CID 142669098

IUPAC4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide
SMILESCc1cc(CN2C[C@H](c3ccccc3)NC2=O)ccc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C24H24N4O2/c1-16-13-17(7-12-21(16)26-23(29)19-8-10-20(25)11-9-19)14-28-15-22(27-24(28)30)18-5-3-2-4-6-18/h2-13,22H,14-15,25H2,1H3,(H,26,29)(H,27,30)/t22-/m1/s1
InChIKeyAJHAWPAFVOPUIG-JOCHJYFZSA-N
MW400.48 g/mol
LogP4.10
Rot. Bonds5

About 4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide

4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide (PubChem CID 142669098) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide
PubChem CID142669098
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide
SMILESCc1cc(CN2C[C@H](c3ccccc3)NC2=O)ccc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C24H24N4O2/c1-16-13-17(7-12-21(16)26-23(29)19-8-10-20(25)11-9-19)14-28-15-22(27-24(28)30)18-5-3-2-4-6-18/h2-13,22H,14-15,25H2,1H3,(H,26,29)(H,27,30)/t22-/m1/s1
InChIKeyAJHAWPAFVOPUIG-JOCHJYFZSA-N
XLogP4.10
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]benzamide
CID 142664067
(4S)-1-benzyl-4-phenylimidazolidin-2-one
CID 142669129
(4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one
CID 142669096
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide
CID 1364318
N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide
CID 89462725
N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 120568831
4-[[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(2-methylphenyl)benzamide
CID 92721622
4-amino-N-[4-(dimethylamino)-2-methylphenyl]benzamide
CID 43700590
4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 53135578
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 53135615

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide?
The IUPAC name of 4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide (CID 142669098) is 4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide?
The canonical SMILES for 4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide is Cc1cc(CN2C[C@H](c3ccccc3)NC2=O)ccc1NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide?
The InChIKey is AJHAWPAFVOPUIG-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-13-17(7-12-21(16)26-23(29)19-8-10-20(25)11-9-19)14-28-15-22(27-24(28)30)18-5-3-2-4-6-18/h2-13,22H,14-15,25H2,1H3,(H,26,29)(H,27,30)/t22-/m1/s1.
What are the key properties of 4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide?
4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-4-[[(4S)-2-oxo-4-phenylimidazolidin-1-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 142669098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).