2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid

C12H11BrN2O4 — CID 25323209

IUPAC2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESC[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C12H11BrN2O4/c1-12(7-3-2-4-8(13)5-7)10(18)15(6-9(16)17)11(19)14-12/h2-5H,6H2,1H3,(H,14,19)(H,16,17)/t12-/m0/s1
InChIKeyBYTZCSNTXNMWAX-LBPRGKRZSA-N
MW327.13 g/mol
LogP1.30
Rot. Bonds3

About 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 25323209) has the molecular formula C12H11BrN2O4 and a molecular weight of 327.13 g/mol. Its IUPAC name is 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID25323209
Molecular FormulaC12H11BrN2O4
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Name2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESC[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C12H11BrN2O4/c1-12(7-3-2-4-8(13)5-7)10(18)15(6-9(16)17)11(19)14-12/h2-5H,6H2,1H3,(H,14,19)(H,16,17)/t12-/m0/s1
InChIKeyBYTZCSNTXNMWAX-LBPRGKRZSA-N
XLogP1.30
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 51.30
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-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2081712
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
(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242493
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide
CID 43032745
3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4804422
(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 7178046
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 2701996
(5R)-5-(3-bromophenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 2702011
(5S)-5-(3-bromophenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 2702012
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
CID 2711011
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 2081705

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 25323209) is 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid is C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is BYTZCSNTXNMWAX-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H11BrN2O4/c1-12(7-3-2-4-8(13)5-7)10(18)15(6-9(16)17)11(19)14-12/h2-5H,6H2,1H3,(H,14,19)(H,16,17)/t12-/m0/s1.
What are the key properties of 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 327.13 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 25323209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).