(5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione

C22H18N6O2 — CID 41157273

IUPAC(5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2nnnn2-c2ccccc2)C1=O
InChIInChI=1S/C22H18N6O2/c1-22(17-12-11-15-7-5-6-8-16(15)13-17)20(29)27(21(30)23-22)14-19-24-25-26-28(19)18-9-3-2-4-10-18/h2-13H,14H2,1H3,(H,23,30)/t22-/m0/s1
InChIKeyHWJMEGVEDJFNLQ-QFIPXVFZSA-N
MW398.43 g/mol
LogP2.78
Rot. Bonds4

About (5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 41157273) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is (5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
PubChem CID41157273
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC Name(5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2nnnn2-c2ccccc2)C1=O
InChIInChI=1S/C22H18N6O2/c1-22(17-12-11-15-7-5-6-8-16(15)13-17)20(29)27(21(30)23-22)14-19-24-25-26-28(19)18-9-3-2-4-10-18/h2-13H,14H2,1H3,(H,23,30)/t22-/m0/s1
InChIKeyHWJMEGVEDJFNLQ-QFIPXVFZSA-N
XLogP2.78
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(1-benzofuran-2-yl)-5-methyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione
CID 55860422
5-methyl-5-naphthalen-2-yl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 24674252
(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 9439740
methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 41135174
5-butyl-5-phenyl-3-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]imidazolidine-2,4-dione
CID 55860417
(4R)-3'-[(1-phenyltetrazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 41154747
3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55578823
3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42911362
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 40794608
5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 4877059
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 51446549
(5R)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-bis[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione
CID 98371326

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione (CID 41157273) is (5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione is C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2nnnn2-c2ccccc2)C1=O.
What is the InChIKey of (5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is HWJMEGVEDJFNLQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H18N6O2/c1-22(17-12-11-15-7-5-6-8-16(15)13-17)20(29)27(21(30)23-22)14-19-24-25-26-28(19)18-9-3-2-4-10-18/h2-13H,14H2,1H3,(H,23,30)/t22-/m0/s1.
What are the key properties of (5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 398.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-naphthalen-2-yl-3-[(1-phenyltetrazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 41157273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).