3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione

C21H18N2O2 — CID 16660602

IUPAC3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccc3ccccc3c2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H18N2O2/c24-20-19(13-16-10-11-17-8-4-5-9-18(17)12-16)22-21(25)23(20)14-15-6-2-1-3-7-15/h1-12,19H,13-14H2,(H,22,25)
InChIKeyCNILRIXXJNMPTH-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.50
Rot. Bonds4

About 3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione

3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 16660602) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID16660602
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccc3ccccc3c2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H18N2O2/c24-20-19(13-16-10-11-17-8-4-5-9-18(17)12-16)22-21(25)23(20)14-15-6-2-1-3-7-15/h1-12,19H,13-14H2,(H,22,25)
InChIKeyCNILRIXXJNMPTH-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 118546703
methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 4601141
5-benzyl-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
CID 112774880
3-benzyl-5-prop-2-ynylimidazolidine-2,4-dione
CID 106509603
(5R)-5-benzyl-3-[(6-propan-2-yl-2-pyridinyl)methyl]imidazolidine-2,4-dione
CID 97251601
5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 110186788
(5S)-5-benzyl-3-(furan-2-ylmethyl)imidazolidine-2,4-dione
CID 11196501
(5R)-5-benzyl-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 11674231
5-[[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methoxybenzonitrile
CID 99697015
(5S)-3-methyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one
CID 59884171
(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7917027
(5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
CID 92535449

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione (CID 16660602) is 3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione is O=C1NC(Cc2ccc3ccccc3c2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is CNILRIXXJNMPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-20-19(13-16-10-11-17-8-4-5-9-18(17)12-16)22-21(25)23(20)14-15-6-2-1-3-7-15/h1-12,19H,13-14H2,(H,22,25).
What are the key properties of 3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione?
3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 330.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 16660602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).