5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione

C21H17BrN2O4 — CID 4019911

IUPAC5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc2c(CN3C(=O)NC(C)(c4ccccc4Br)C3=O)cc(=O)oc2c1
InChIInChI=1S/C21H17BrN2O4/c1-12-7-8-14-13(10-18(25)28-17(14)9-12)11-24-19(26)21(2,23-20(24)27)15-5-3-4-6-16(15)22/h3-10H,11H2,1-2H3,(H,23,27)
InChIKeyQMDHIZXWCFVRDH-UHFFFAOYSA-N
MW441.28 g/mol
LogP3.83
Rot. Bonds3

About 5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione

5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 4019911) has the molecular formula C21H17BrN2O4 and a molecular weight of 441.28 g/mol. Its IUPAC name is 5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID4019911
Molecular FormulaC21H17BrN2O4
Molecular Weight441.28 g/mol
Exact Mass440.04
IUPAC Name5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc2c(CN3C(=O)NC(C)(c4ccccc4Br)C3=O)cc(=O)oc2c1
InChIInChI=1S/C21H17BrN2O4/c1-12-7-8-14-13(10-18(25)28-17(14)9-12)11-24-19(26)21(2,23-20(24)27)15-5-3-4-6-16(15)22/h3-10H,11H2,1-2H3,(H,23,27)
InChIKeyQMDHIZXWCFVRDH-UHFFFAOYSA-N
XLogP3.83
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
CID 56517853
(5S)-5-(2-bromophenyl)-5-methyl-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 40856927
(5R)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242252
(5S)-3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242253
N-[4-[(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)methyl]-2-oxochromen-7-yl]acetamide
CID 42972075
(5R)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242212
(5S)-5-(2-bromophenyl)-3-[(2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 40880953
5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 78644009
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288632
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7180024
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51250107
5-(4-chlorophenyl)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 5032782

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione (CID 4019911) is 5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione is Cc1ccc2c(CN3C(=O)NC(C)(c4ccccc4Br)C3=O)cc(=O)oc2c1.
What is the InChIKey of 5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is QMDHIZXWCFVRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O4/c1-12-7-8-14-13(10-18(25)28-17(14)9-12)11-24-19(26)21(2,23-20(24)27)15-5-3-4-6-16(15)22/h3-10H,11H2,1-2H3,(H,23,27).
What are the key properties of 5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione?
5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 441.28 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 4019911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).