ethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate

C30H24N2O5 — CID 22351184

IUPACethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)N(C(=O)c2ccc3ccccc3c2)C(=O)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N2O5/c1-2-37-26(33)20-31-29(36)32(27(34)23-18-17-21-11-9-10-12-22(21)19-23)28(35)30(31,24-13-5-3-6-14-24)25-15-7-4-8-16-25/h3-19H,2,20H2,1H3
InChIKeyQYMFXWKULZWKKJ-UHFFFAOYSA-N
MW492.53 g/mol
LogP4.75
Rot. Bonds6

About ethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate

ethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate (PubChem CID 22351184) has the molecular formula C30H24N2O5 and a molecular weight of 492.53 g/mol. Its IUPAC name is ethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate
PubChem CID22351184
Molecular FormulaC30H24N2O5
Molecular Weight492.53 g/mol
Exact Mass492.17
IUPAC Nameethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)N(C(=O)c2ccc3ccccc3c2)C(=O)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24N2O5/c1-2-37-26(33)20-31-29(36)32(27(34)23-18-17-21-11-9-10-12-22(21)19-23)28(35)30(31,24-13-5-3-6-14-24)25-15-7-4-8-16-25/h3-19H,2,20H2,1H3
InChIKeyQYMFXWKULZWKKJ-UHFFFAOYSA-N
XLogP4.75
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione
CID 22351192
ethyl 2-[2-benzyl-8-(naphthalene-2-carbonyl)-3-oxo-1,4,8-triazaspiro[4.5]decan-4-yl]acetate
CID 91387809
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
3-(naphthalene-2-carbonyl)-1-phenylimidazolidine-2,4-dione
CID 70203256
2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 19600585
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
ethyl 3-naphthalen-2-yloxetane-3-carboxylate
CID 116875843
ethyl 2-[2-methyl-6-oxo-4-[(Z)-2-phenylethenyl]-1-pyridinyl]acetate
CID 70023589
propanoyl naphthalene-2-carboxylate
CID 118192395
ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate
CID 22613816
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
methyl 2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 57004759

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate (CID 22351184) is ethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate is CCOC(=O)CN1C(=O)N(C(=O)c2ccc3ccccc3c2)C(=O)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate?
The InChIKey is QYMFXWKULZWKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O5/c1-2-37-26(33)20-31-29(36)32(27(34)23-18-17-21-11-9-10-12-22(21)19-23)28(35)30(31,24-13-5-3-6-14-24)25-15-7-4-8-16-25/h3-19H,2,20H2,1H3.
What are the key properties of ethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate?
ethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate has a molecular weight of 492.53 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate is sourced from PubChem (CID 22351184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).