(5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione

C17H14BrN3O4 — CID 2710989

IUPAC(5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C17H14BrN3O4/c1-17(12-5-3-6-13(18)9-12)15(22)20(16(23)19-17)10-11-4-2-7-14(8-11)21(24)25/h2-9H,10H2,1H3,(H,19,23)/t17-/m1/s1
InChIKeyLWQLDFFPEQQGMM-QGZVFWFLSA-N
MW404.22 g/mol
LogP3.32
Rot. Bonds4

About (5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione

(5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 2710989) has the molecular formula C17H14BrN3O4 and a molecular weight of 404.22 g/mol. Its IUPAC name is (5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
PubChem CID2710989
Molecular FormulaC17H14BrN3O4
Molecular Weight404.22 g/mol
Exact Mass403.02
IUPAC Name(5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C17H14BrN3O4/c1-17(12-5-3-6-13(18)9-12)15(22)20(16(23)19-17)10-11-4-2-7-14(8-11)21(24)25/h2-9H,10H2,1H3,(H,19,23)/t17-/m1/s1
InChIKeyLWQLDFFPEQQGMM-QGZVFWFLSA-N
XLogP3.32
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
(5R)-5-(3-bromophenyl)-5-methyl-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7178072
4-[[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 6591353
4-[[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 2117374
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-nitrophenyl)acetamide
CID 40779068
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075658
N,N-dimethyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075598
5-(3-bromophenyl)-3-[(2,4-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3596567
5-butyl-5-(4-fluorophenyl)-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 112775560
3-[(3,4-dichlorophenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 42964351

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione (CID 2710989) is (5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione is C[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O.
What is the InChIKey of (5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is LWQLDFFPEQQGMM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14BrN3O4/c1-17(12-5-3-6-13(18)9-12)15(22)20(16(23)19-17)10-11-4-2-7-14(8-11)21(24)25/h2-9H,10H2,1H3,(H,19,23)/t17-/m1/s1.
What are the key properties of (5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione?
(5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 404.22 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2710989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).