(5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C18H22BrN3O3 — CID 7178060

IUPAC(5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)C1
InChIInChI=1S/C18H22BrN3O3/c1-12-5-4-8-21(10-12)15(23)11-22-16(24)18(2,20-17(22)25)13-6-3-7-14(19)9-13/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3,(H,20,25)/t12-,18+/m1/s1
InChIKeyNZXDPKZGJWVRAM-XIKOKIGWSA-N
MW408.30 g/mol
LogP2.47
Rot. Bonds3

About (5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

(5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 7178060) has the molecular formula C18H22BrN3O3 and a molecular weight of 408.30 g/mol. Its IUPAC name is (5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID7178060
Molecular FormulaC18H22BrN3O3
Molecular Weight408.30 g/mol
Exact Mass407.08
IUPAC Name(5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)C1
InChIInChI=1S/C18H22BrN3O3/c1-12-5-4-8-21(10-12)15(23)11-22-16(24)18(2,20-17(22)25)13-6-3-7-14(19)9-13/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3,(H,20,25)/t12-,18+/m1/s1
InChIKeyNZXDPKZGJWVRAM-XIKOKIGWSA-N
XLogP2.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7178929
(5R)-5-(3-bromophenyl)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2701973
5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 17440464
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
ethyl 4-[2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperazine-1-carboxylate
CID 43063936
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 2081705
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 41100880
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 4797085
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7264931
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 93011595

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 7178060) is (5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3cccc(Br)c3)C2=O)C1.
What is the InChIKey of (5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is NZXDPKZGJWVRAM-XIKOKIGWSA-N. The full InChI is InChI=1S/C18H22BrN3O3/c1-12-5-4-8-21(10-12)15(23)11-22-16(24)18(2,20-17(22)25)13-6-3-7-14(19)9-13/h3,6-7,9,12H,4-5,8,10-11H2,1-2H3,(H,20,25)/t12-,18+/m1/s1.
What are the key properties of (5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
(5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 408.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7178060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).