3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione

C18H19ClN2O4 — CID 7181061

IUPAC3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(Cc2cc(=O)oc3cc(C)c(Cl)cc23)C1=O
InChIInChI=1S/C18H19ClN2O4/c1-4-18(5-2)16(23)21(17(24)20-18)9-11-7-15(22)25-14-6-10(3)13(19)8-12(11)14/h6-8H,4-5,9H2,1-3H3,(H,20,24)
InChIKeyGUNOWWQUWHBQIK-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.37
Rot. Bonds4

About 3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione

3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione (PubChem CID 7181061) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione
PubChem CID7181061
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(Cc2cc(=O)oc3cc(C)c(Cl)cc23)C1=O
InChIInChI=1S/C18H19ClN2O4/c1-4-18(5-2)16(23)21(17(24)20-18)9-11-7-15(22)25-14-6-10(3)13(19)8-12(11)14/h6-8H,4-5,9H2,1-3H3,(H,20,24)
InChIKeyGUNOWWQUWHBQIK-UHFFFAOYSA-N
XLogP3.37
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.37
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

(5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2113206
(5R,6R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265180
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691277
(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
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51250107
4-[(4R)-1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 93250967
3-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288632
3'-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 78539491
6-chloro-4-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-7-methylchromen-2-one
CID 32721476
6-chloro-7-methyl-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 8725094
3-chloro-1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 2467447

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione (CID 7181061) is 3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione is CCC1(CC)NC(=O)N(Cc2cc(=O)oc3cc(C)c(Cl)cc23)C1=O.
What is the InChIKey of 3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione?
The InChIKey is GUNOWWQUWHBQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-4-18(5-2)16(23)21(17(24)20-18)9-11-7-15(22)25-14-6-10(3)13(19)8-12(11)14/h6-8H,4-5,9H2,1-3H3,(H,20,24).
What are the key properties of 3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione?
3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione has a molecular weight of 362.81 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5,5-diethylimidazolidine-2,4-dione is sourced from PubChem (CID 7181061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).