(4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C19H16N6O3 — CID 41154747

IUPAC(4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C19H16N6O3/c26-17-19(10-11-28-15-9-5-4-8-14(15)19)20-18(27)24(17)12-16-21-22-23-25(16)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,27)/t19-/m1/s1
InChIKeyPFZHNDOJHUMDFU-LJQANCHMSA-N
MW376.38 g/mol
LogP1.39
Rot. Bonds3

About (4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

(4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 41154747) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is (4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID41154747
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name(4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C19H16N6O3/c26-17-19(10-11-28-15-9-5-4-8-14(15)19)20-18(27)24(17)12-16-21-22-23-25(16)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,27)/t19-/m1/s1
InChIKeyPFZHNDOJHUMDFU-LJQANCHMSA-N
XLogP1.39
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
(4S)-3'-[(2-chlorophenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2516578
(4S)-3'-[(5-chlorothiadiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9450202
(4R)-3'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442704
(4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 41131523
(4R)-3'-[(3-methyl-1,2-oxazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9291202
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide
CID 41105061
3'-(2-phenoxyethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 4876938
3'-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17498401
(4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 36509633
propan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate
CID 2454556

Frequently Asked Questions

What is the IUPAC name of (4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 41154747) is (4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1nnnn1-c1ccccc1.
What is the InChIKey of (4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is PFZHNDOJHUMDFU-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16N6O3/c26-17-19(10-11-28-15-9-5-4-8-14(15)19)20-18(27)24(17)12-16-21-22-23-25(16)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,27)/t19-/m1/s1.
What are the key properties of (4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
(4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 376.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 41154747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).