1-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]imidazolidin-2-one

C15H13ClN2O5 — CID 7468929

IUPAC1-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]imidazolidin-2-one
SMILESCc1cc(=O)oc2cc(OCC(=O)N3CCNC3=O)c(Cl)cc12
InChIInChI=1S/C15H13ClN2O5/c1-8-4-14(20)23-11-6-12(10(16)5-9(8)11)22-7-13(19)18-3-2-17-15(18)21/h4-6H,2-3,7H2,1H3,(H,17,21)
InChIKeyDNYMFXBVFSIJJQ-UHFFFAOYSA-N
MW336.73 g/mol
LogP1.69
Rot. Bonds3

About 1-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]imidazolidin-2-one

1-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]imidazolidin-2-one (PubChem CID 7468929) has the molecular formula C15H13ClN2O5 and a molecular weight of 336.73 g/mol. Its IUPAC name is 1-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]imidazolidin-2-one
PubChem CID7468929
Molecular FormulaC15H13ClN2O5
Molecular Weight336.73 g/mol
Exact Mass336.05
IUPAC Name1-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]imidazolidin-2-one
SMILESCc1cc(=O)oc2cc(OCC(=O)N3CCNC3=O)c(Cl)cc12
InChIInChI=1S/C15H13ClN2O5/c1-8-4-14(20)23-11-6-12(10(16)5-9(8)11)22-7-13(19)18-3-2-17-15(18)21/h4-6H,2-3,7H2,1H3,(H,17,21)
InChIKeyDNYMFXBVFSIJJQ-UHFFFAOYSA-N
XLogP1.69
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-methyl-7-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-2-one
CID 7468971
6-chloro-4-methyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one
CID 7954018
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 782909
ethyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 782904
6-chloro-7-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 4892556
4-(6-chloro-4-methyl-2-oxochromen-7-yl)oxybutanoic acid
CID 20990338
7-chloro-4-methyl-6-(2-oxopropoxy)chromen-2-one
CID 673994
tert-butyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 854694
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844090
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide
CID 4823145
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4907021
6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one
CID 7953989

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]imidazolidin-2-one (CID 7468929) is 1-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]imidazolidin-2-one is Cc1cc(=O)oc2cc(OCC(=O)N3CCNC3=O)c(Cl)cc12.
What is the InChIKey of 1-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]imidazolidin-2-one?
The InChIKey is DNYMFXBVFSIJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5/c1-8-4-14(20)23-11-6-12(10(16)5-9(8)11)22-7-13(19)18-3-2-17-15(18)21/h4-6H,2-3,7H2,1H3,(H,17,21).
What are the key properties of 1-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]imidazolidin-2-one?
1-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]imidazolidin-2-one has a molecular weight of 336.73 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]imidazolidin-2-one is sourced from PubChem (CID 7468929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).