N-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C25H22BrN3O3 — CID 2081712

IUPACN-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C25H22BrN3O3/c1-25(19-13-8-14-20(26)15-19)23(31)29(24(32)28-25)16-21(30)27-22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,22H,16H2,1H3,(H,27,30)(H,28,32)/t25-/m0/s1
InChIKeyALOKJGJIYYQXCS-VWLOTQADSA-N
MW492.37 g/mol
LogP4.12
Rot. Bonds6

About N-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2081712) has the molecular formula C25H22BrN3O3 and a molecular weight of 492.37 g/mol. Its IUPAC name is N-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID2081712
Molecular FormulaC25H22BrN3O3
Molecular Weight492.37 g/mol
Exact Mass491.08
IUPAC NameN-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C25H22BrN3O3/c1-25(19-13-8-14-20(26)15-19)23(31)29(24(32)28-25)16-21(30)27-22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,22H,16H2,1H3,(H,27,30)(H,28,32)/t25-/m0/s1
InChIKeyALOKJGJIYYQXCS-VWLOTQADSA-N
XLogP4.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.37
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzhydryl-2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2081711
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2702070
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7177945
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 4804430
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2702065
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide
CID 43032745
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 2701996
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
CID 2711011
N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 25340413
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 4214457
2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41195748

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2081712) is N-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of N-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ALOKJGJIYYQXCS-VWLOTQADSA-N. The full InChI is InChI=1S/C25H22BrN3O3/c1-25(19-13-8-14-20(26)15-19)23(31)29(24(32)28-25)16-21(30)27-22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,22H,16H2,1H3,(H,27,30)(H,28,32)/t25-/m0/s1.
What are the key properties of N-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 492.37 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2081712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).