3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C20H20N2O5 — CID 17405515

IUPAC3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc(OC)c(CN2C(=O)NC3(CCOc4ccccc43)C2=O)c1
InChIInChI=1S/C20H20N2O5/c1-25-14-7-8-16(26-2)13(11-14)12-22-18(23)20(21-19(22)24)9-10-27-17-6-4-3-5-15(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)
InChIKeySMRNJMNOGRMQEY-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.43
Rot. Bonds4

About 3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 17405515) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID17405515
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc(OC)c(CN2C(=O)NC3(CCOc4ccccc43)C2=O)c1
InChIInChI=1S/C20H20N2O5/c1-25-14-7-8-16(26-2)13(11-14)12-22-18(23)20(21-19(22)24)9-10-27-17-6-4-3-5-15(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)
InChIKeySMRNJMNOGRMQEY-UHFFFAOYSA-N
XLogP2.43
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3'-[(5-chloro-2-methoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17411522
3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 17407869
3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 4883616
(4S)-3'-[2-(4-methoxyphenoxy)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 8005827
(4R)-3'-[(2-bromo-4,5-diethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 41096337
(4S)-3'-[(2-chlorophenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2516578
(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409
(4R)-3'-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 41096525
(4R)-3'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442704
methyl 3-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]benzoate
CID 25387050
3'-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 60524392
(4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 40777756

Frequently Asked Questions

What is the IUPAC name of 3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 17405515) is 3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is COc1ccc(OC)c(CN2C(=O)NC3(CCOc4ccccc43)C2=O)c1.
What is the InChIKey of 3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is SMRNJMNOGRMQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-25-14-7-8-16(26-2)13(11-14)12-22-18(23)20(21-19(22)24)9-10-27-17-6-4-3-5-15(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,24).
What are the key properties of 3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 368.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 17405515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).