3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

C18H16ClN3O3 — CID 166229412

IUPAC3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C1(CC2)NC(=O)N(Cc2ccnc(Cl)c2)C1=O
InChIInChI=1S/C18H16ClN3O3/c1-25-13-3-2-12-4-6-18(14(12)9-13)16(23)22(17(24)21-18)10-11-5-7-20-15(19)8-11/h2-3,5,7-9H,4,6,10H2,1H3,(H,21,24)
InChIKeyDXMBWLNBARILNA-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.64
Rot. Bonds3

About 3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 166229412) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
PubChem CID166229412
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C1(CC2)NC(=O)N(Cc2ccnc(Cl)c2)C1=O
InChIInChI=1S/C18H16ClN3O3/c1-25-13-3-2-12-4-6-18(14(12)9-13)16(23)22(17(24)21-18)10-11-5-7-20-15(19)8-11/h2-3,5,7-9H,4,6,10H2,1H3,(H,21,24)
InChIKeyDXMBWLNBARILNA-UHFFFAOYSA-N
XLogP2.64
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(3S)-5-methoxy-3'-[(4-methylthiadiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 125420530
3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 51129751
3'-[(2-ethyl-6-propan-2-yl-3-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 138993289
3'-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 71913145
3'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 139005419
5-methoxy-3'-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 71913144
3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 17407869
(3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 9438659
(3S)-3'-[2-(4-methoxyphenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702763
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
(4S)-3'-[(3,4-dichlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2102939
1-[(2-chloro-4-pyridinyl)methyl]azepane-2,7-dione
CID 55075648

Frequently Asked Questions

What is the IUPAC name of 3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione (CID 166229412) is 3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)C1(CC2)NC(=O)N(Cc2ccnc(Cl)c2)C1=O.
What is the InChIKey of 3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is DXMBWLNBARILNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-25-13-3-2-12-4-6-18(14(12)9-13)16(23)22(17(24)21-18)10-11-5-7-20-15(19)8-11/h2-3,5,7-9H,4,6,10H2,1H3,(H,21,24).
What are the key properties of 3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione?
3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 357.80 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[(2-chloro-4-pyridinyl)methyl]-5-methoxyspiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 166229412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).