(5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione

C22H24N2O3 — CID 40819135

IUPAC(5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
SMILESCc1cccc(OCCN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c1
InChIInChI=1S/C22H24N2O3/c1-16-7-6-10-18(15-16)27-14-13-24-20(25)22(23-21(24)26)12-5-4-9-17-8-2-3-11-19(17)22/h2-3,6-8,10-11,15H,4-5,9,12-14H2,1H3,(H,23,26)/t22-/m0/s1
InChIKeyDQSSVKMJLUDZQN-QFIPXVFZSA-N
MW364.45 g/mol
LogP3.55
Rot. Bonds4

About (5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione

(5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione (PubChem CID 40819135) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
PubChem CID40819135
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
SMILESCc1cccc(OCCN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c1
InChIInChI=1S/C22H24N2O3/c1-16-7-6-10-18(15-16)27-14-13-24-20(25)22(23-21(24)26)12-5-4-9-17-8-2-3-11-19(17)22/h2-3,6-8,10-11,15H,4-5,9,12-14H2,1H3,(H,23,26)/t22-/m0/s1
InChIKeyDQSSVKMJLUDZQN-QFIPXVFZSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3'-[2-(4-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 40794945
3'-(2-phenoxyethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 18074717
(4R)-3'-(2-phenoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2666003
(4S)-3'-[2-(3-bromophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2666026
3'-[2-(2,6-dimethylphenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 17462485
(3S)-3'-[2-(4-methoxyphenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702763
(3R)-3'-(3-phenoxypropyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 40855940
(4R)-3'-[2-(2-chlorophenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2666015
4-[2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]ethoxy]benzonitrile
CID 51447055
(5S)-5-methyl-3-[2-(3-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 2579943
3'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 42964488
5-cyclopropyl-5-methyl-3-[2-(3-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 112774676

Frequently Asked Questions

What is the IUPAC name of (5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione (CID 40819135) is (5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione is Cc1cccc(OCCN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)c1.
What is the InChIKey of (5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione?
The InChIKey is DQSSVKMJLUDZQN-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16-7-6-10-18(15-16)27-14-13-24-20(25)22(23-21(24)26)12-5-4-9-17-8-2-3-11-19(17)22/h2-3,6-8,10-11,15H,4-5,9,12-14H2,1H3,(H,23,26)/t22-/m0/s1.
What are the key properties of (5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione?
(5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione has a molecular weight of 364.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3'-[2-(3-methylphenoxy)ethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 40819135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).