1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione

C21H20Br2Cl2N2O2 — CID 18682394

IUPAC1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N1CCCCBr
InChIInChI=1S/C21H20Br2Cl2N2O2/c1-21(13-14-4-6-15(23)7-5-14)19(28)27(18-11-16(24)10-17(25)12-18)20(29)26(21)9-3-2-8-22/h4-7,10-12H,2-3,8-9,13H2,1H3
InChIKeyNKHPHUICFIBVEI-UHFFFAOYSA-N
MW563.12 g/mol
LogP6.70
Rot. Bonds7

About 1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione

1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 18682394) has the molecular formula C21H20Br2Cl2N2O2 and a molecular weight of 563.12 g/mol. Its IUPAC name is 1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID18682394
Molecular FormulaC21H20Br2Cl2N2O2
Molecular Weight563.12 g/mol
Exact Mass559.93
IUPAC Name1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N1CCCCBr
InChIInChI=1S/C21H20Br2Cl2N2O2/c1-21(13-14-4-6-15(23)7-5-14)19(28)27(18-11-16(24)10-17(25)12-18)20(29)26(21)9-3-2-8-22/h4-7,10-12H,2-3,8-9,13H2,1H3
InChIKeyNKHPHUICFIBVEI-UHFFFAOYSA-N
XLogP6.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.12
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-1-(4-aminobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 59879535
(5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione
CID 59075288
4-[5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butanoic acid
CID 18682541
2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione
CID 59075228
N-[4-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butyl]-6-hydrazinylpyridine-3-carboxamide;dihydrochloride
CID 162324294
(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione
CID 59075315
(5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[(4-phenylphenyl)methyl]imidazolidine-2,4-dione
CID 59879524
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide
CID 18338045
(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide
CID 59923816
5-[(4-bromophenyl)methyl]-1,5-dimethyl-3-phenylimidazolidine-2,4-dione
CID 16660429
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonitrile
CID 11317514
(5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione
CID 59075265

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione (CID 18682394) is 1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione is CC1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N1CCCCBr.
What is the InChIKey of 1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is NKHPHUICFIBVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Br2Cl2N2O2/c1-21(13-14-4-6-15(23)7-5-14)19(28)27(18-11-16(24)10-17(25)12-18)20(29)26(21)9-3-2-8-22/h4-7,10-12H,2-3,8-9,13H2,1H3.
What are the key properties of 1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione?
1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 563.12 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18682394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).