(5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione

C18H17BrN2O3 — CID 40794994

IUPAC(5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)c1
InChIInChI=1S/C18H17BrN2O3/c1-18(14-8-3-4-9-15(14)19)16(22)21(17(23)20-18)11-12-6-5-7-13(10-12)24-2/h3-10H,11H2,1-2H3,(H,20,23)/t18-/m0/s1
InChIKeyQBRULNHRTCYUEK-SFHVURJKSA-N
MW389.25 g/mol
LogP3.42
Rot. Bonds4

About (5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione

(5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 40794994) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is (5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID40794994
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name(5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)c1
InChIInChI=1S/C18H17BrN2O3/c1-18(14-8-3-4-9-15(14)19)16(22)21(17(23)20-18)11-12-6-5-7-13(10-12)24-2/h3-10H,11H2,1-2H3,(H,20,23)/t18-/m0/s1
InChIKeyQBRULNHRTCYUEK-SFHVURJKSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.42
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

5-(2-bromophenyl)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 55356802
(5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 40856927
(5S)-5-(2-bromophenyl)-3-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 40880953
2-[(4R)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 2702725
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7691995
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4034522
N-[(3-methoxyphenyl)methyl]-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7242813
5-methyl-5-phenyl-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 60603827
(5R)-5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2479691
5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3894846
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 47094416
3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 114761033

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione (CID 40794994) is (5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione is COc1cccc(CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)c1.
What is the InChIKey of (5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is QBRULNHRTCYUEK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-18(14-8-3-4-9-15(14)19)16(22)21(17(23)20-18)11-12-6-5-7-13(10-12)24-2/h3-10H,11H2,1-2H3,(H,20,23)/t18-/m0/s1.
What are the key properties of (5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 389.25 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 40794994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).