5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione

C29H22N2O4 — CID 22351192

IUPAC5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)C(=O)N(C(=O)c2ccc3ccccc3c2)C(=O)N1CC(=O)c1ccccc1
InChIInChI=1S/C29H22N2O4/c1-29(24-14-6-3-7-15-24)27(34)31(26(33)23-17-16-20-10-8-9-13-22(20)18-23)28(35)30(29)19-25(32)21-11-4-2-5-12-21/h2-18H,19H2,1H3
InChIKeyNJOKMPLJNULWAI-UHFFFAOYSA-N
MW462.51 g/mol
LogP5.04
Rot. Bonds5

About 5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione

5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione (PubChem CID 22351192) has the molecular formula C29H22N2O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione
PubChem CID22351192
Molecular FormulaC29H22N2O4
Molecular Weight462.51 g/mol
Exact Mass462.16
IUPAC Name5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)C(=O)N(C(=O)c2ccc3ccccc3c2)C(=O)N1CC(=O)c1ccccc1
InChIInChI=1S/C29H22N2O4/c1-29(24-14-6-3-7-15-24)27(34)31(26(33)23-17-16-20-10-8-9-13-22(20)18-23)28(35)30(29)19-25(32)21-11-4-2-5-12-21/h2-18H,19H2,1H3
InChIKeyNJOKMPLJNULWAI-UHFFFAOYSA-N
XLogP5.04
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate
CID 22351184
3-(naphthalene-2-carbonyl)-1-phenylimidazolidine-2,4-dione
CID 70203256
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 40794608
CID 87197273
CID 87197273
2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 19600585
dinaphthalen-2-ylmethanone
CID 10945915
3,3-dimethyl-4-phenacylpiperazin-2-one
CID 55217276
4-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 4916468
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 17411430
naphthalene-2-carboxylic acid
CID 175967775

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione (CID 22351192) is 5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione is CC1(c2ccccc2)C(=O)N(C(=O)c2ccc3ccccc3c2)C(=O)N1CC(=O)c1ccccc1.
What is the InChIKey of 5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is NJOKMPLJNULWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O4/c1-29(24-14-6-3-7-15-24)27(34)31(26(33)23-17-16-20-10-8-9-13-22(20)18-23)28(35)30(29)19-25(32)21-11-4-2-5-12-21/h2-18H,19H2,1H3.
What are the key properties of 5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione?
5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 462.51 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 22351192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).