(5R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

C18H21BrN4O3 — CID 29171455

IUPAC(5R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCC(C)CC[C@@]1(C)NC(=O)N(Cc2nnc(-c3ccc(Br)cc3)o2)C1=O
InChIInChI=1S/C18H21BrN4O3/c1-11(2)8-9-18(3)16(24)23(17(25)20-18)10-14-21-22-15(26-14)12-4-6-13(19)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,20,25)/t18-/m1/s1
InChIKeyAWNWIJONVKTZBR-GOSISDBHSA-N
MW421.30 g/mol
LogP3.75
Rot. Bonds6

About (5R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

(5R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione (PubChem CID 29171455) has the molecular formula C18H21BrN4O3 and a molecular weight of 421.30 g/mol. Its IUPAC name is (5R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
PubChem CID29171455
Molecular FormulaC18H21BrN4O3
Molecular Weight421.30 g/mol
Exact Mass420.08
IUPAC Name(5R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCC(C)CC[C@@]1(C)NC(=O)N(Cc2nnc(-c3ccc(Br)cc3)o2)C1=O
InChIInChI=1S/C18H21BrN4O3/c1-11(2)8-9-18(3)16(24)23(17(25)20-18)10-14-21-22-15(26-14)12-4-6-13(19)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,20,25)/t18-/m1/s1
InChIKeyAWNWIJONVKTZBR-GOSISDBHSA-N
XLogP3.75
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione (CID 29171455) is (5R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione is CC(C)CC[C@@]1(C)NC(=O)N(Cc2nnc(-c3ccc(Br)cc3)o2)C1=O.
What is the InChIKey of (5R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
The InChIKey is AWNWIJONVKTZBR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21BrN4O3/c1-11(2)8-9-18(3)16(24)23(17(25)20-18)10-14-21-22-15(26-14)12-4-6-13(19)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,20,25)/t18-/m1/s1.
What are the key properties of (5R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione?
(5R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione has a molecular weight of 421.30 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 29171455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).