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

C21H16ClFN2O4 — CID 56517853

IUPAC5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc2c(CN3C(=O)NC(C)(c4ccc(F)cc4Cl)C3=O)cc(=O)oc2c1
InChIInChI=1S/C21H16ClFN2O4/c1-11-3-5-14-12(8-18(26)29-17(14)7-11)10-25-19(27)21(2,24-20(25)28)15-6-4-13(23)9-16(15)22/h3-9H,10H2,1-2H3,(H,24,28)
InChIKeyDREFAEMYDFLHMU-UHFFFAOYSA-N
MW414.82 g/mol
LogP3.86
Rot. Bonds3

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

5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 56517853) has the molecular formula C21H16ClFN2O4 and a molecular weight of 414.82 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID56517853
Molecular FormulaC21H16ClFN2O4
Molecular Weight414.82 g/mol
Exact Mass414.08
IUPAC Name5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc2c(CN3C(=O)NC(C)(c4ccc(F)cc4Cl)C3=O)cc(=O)oc2c1
InChIInChI=1S/C21H16ClFN2O4/c1-11-3-5-14-12(8-18(26)29-17(14)7-11)10-25-19(27)21(2,24-20(25)28)15-6-4-13(23)9-16(15)22/h3-9H,10H2,1-2H3,(H,24,28)
InChIKeyDREFAEMYDFLHMU-UHFFFAOYSA-N
XLogP3.86
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.82
LogP ≤ 53.86
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-bromophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
CID 4019911
5-(2,5-difluorophenyl)-3-[(7-ethyl-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 78644009
5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 56518839
5-(2-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56520242
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51250107
5-(2-chloro-4-fluorophenyl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56518049
5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 56520117
3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 56517084
5-(4-chlorophenyl)-3-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 5032782
4-[(4-fluoroanilino)methyl]-7-methylchromen-2-one
CID 25146135
5-(2-chloro-4-fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 56519095
5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
CID 56518457

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione (CID 56517853) is 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione is Cc1ccc2c(CN3C(=O)NC(C)(c4ccc(F)cc4Cl)C3=O)cc(=O)oc2c1.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is DREFAEMYDFLHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O4/c1-11-3-5-14-12(8-18(26)29-17(14)7-11)10-25-19(27)21(2,24-20(25)28)15-6-4-13(23)9-16(15)22/h3-9H,10H2,1-2H3,(H,24,28).
What are the key properties of 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione?
5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 414.82 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56517853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).