(5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione

C18H16BrClN2O2 — CID 41136126

IUPAC(5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cccc(Br)c2)C1=O
InChIInChI=1S/C18H16BrClN2O2/c1-2-18(13-6-8-15(20)9-7-13)16(23)22(17(24)21-18)11-12-4-3-5-14(19)10-12/h3-10H,2,11H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyNZLAOROMHSHJOL-GOSISDBHSA-N
MW407.70 g/mol
LogP4.46
Rot. Bonds4

About (5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione

(5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione (PubChem CID 41136126) has the molecular formula C18H16BrClN2O2 and a molecular weight of 407.70 g/mol. Its IUPAC name is (5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione
PubChem CID41136126
Molecular FormulaC18H16BrClN2O2
Molecular Weight407.70 g/mol
Exact Mass406.01
IUPAC Name(5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cccc(Br)c2)C1=O
InChIInChI=1S/C18H16BrClN2O2/c1-2-18(13-6-8-15(20)9-7-13)16(23)22(17(24)21-18)11-12-4-3-5-14(19)10-12/h3-10H,2,11H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyNZLAOROMHSHJOL-GOSISDBHSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.70
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-5-ethyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 4881082
(5S)-3-[(3,4-dichlorophenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7242730
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
3-[(3,4-dichlorophenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 4832172
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7595682
5-(4-chlorophenyl)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-ethylimidazolidine-2,4-dione
CID 47011236
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2584636
(5R)-5-(4-chlorophenyl)-5-ethyl-3-prop-2-enylimidazolidine-2,4-dione
CID 97026004
(5R)-3-[(2,4-dichlorophenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181312
5-(4-chlorophenyl)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-ethylimidazolidine-2,4-dione
CID 18284754
(5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 41307521
3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47094861

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione (CID 41136126) is (5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione is CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cccc(Br)c2)C1=O.
What is the InChIKey of (5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione?
The InChIKey is NZLAOROMHSHJOL-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16BrClN2O2/c1-2-18(13-6-8-15(20)9-7-13)16(23)22(17(24)21-18)11-12-4-3-5-14(19)10-12/h3-10H,2,11H2,1H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione?
(5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione has a molecular weight of 407.70 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(3-bromophenyl)methyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 41136126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).