(2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide

C26H25N3O3 — CID 2104262

IUPAC(2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide
SMILESC[C@@H](C(=O)N(C)Cc1ccccc1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C26H25N3O3/c1-19(23(30)28(2)18-20-12-6-3-7-13-20)29-24(31)26(27-25(29)32,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,18H2,1-2H3,(H,27,32)/t19-/m0/s1
InChIKeyJPBKBZZCVYUFSR-IBGZPJMESA-N
MW427.50 g/mol
LogP3.53
Rot. Bonds6

About (2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide

(2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide (PubChem CID 2104262) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide
PubChem CID2104262
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name(2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide
SMILESC[C@@H](C(=O)N(C)Cc1ccccc1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C26H25N3O3/c1-19(23(30)28(2)18-20-12-6-3-7-13-20)29-24(31)26(27-25(29)32,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,18H2,1-2H3,(H,27,32)/t19-/m0/s1
InChIKeyJPBKBZZCVYUFSR-IBGZPJMESA-N
XLogP3.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.53
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

3-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]-5,5-diphenylimidazolidine-2,4-dione
CID 2493473
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708608
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid
CID 112516106
N-benzyl-N-methyl-2-(4-methylpiperidin-1-yl)propanamide
CID 134062840
N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
CID 42858943
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-benzyl-N-methylpropanamide;hydrochloride
CID 120760688
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821779
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 5033409
3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide
CID 52727040
(2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide
CID 95610823

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide?
The IUPAC name of (2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide (CID 2104262) is (2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for (2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide?
The canonical SMILES for (2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide is C[C@@H](C(=O)N(C)Cc1ccccc1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of (2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide?
The InChIKey is JPBKBZZCVYUFSR-IBGZPJMESA-N. The full InChI is InChI=1S/C26H25N3O3/c1-19(23(30)28(2)18-20-12-6-3-7-13-20)29-24(31)26(27-25(29)32,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19H,18H2,1-2H3,(H,27,32)/t19-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide?
(2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide has a molecular weight of 427.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 2104262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).