N-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide

C25H22N4O4 — CID 34881735

IUPACN-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide
SMILESO=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1NC(=O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C25H22N4O4/c30-22(26-17-18-10-4-1-5-11-18)16-21-24(32)28(20-14-8-3-9-15-20)25(33)29(21)27-23(31)19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,26,30)(H,27,31)/t21-/m0/s1
InChIKeyQHIFZOVOEHPPTM-NRFANRHFSA-N
MW442.48 g/mol
LogP2.88
Rot. Bonds7

About N-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide

N-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide (PubChem CID 34881735) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide
PubChem CID34881735
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC NameN-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide
SMILESO=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1NC(=O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C25H22N4O4/c30-22(26-17-18-10-4-1-5-11-18)16-21-24(32)28(20-14-8-3-9-15-20)25(33)29(21)27-23(31)19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,26,30)(H,27,31)/t21-/m0/s1
InChIKeyQHIFZOVOEHPPTM-NRFANRHFSA-N
XLogP2.88
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 25407191
N-[5-[2-(ethylamino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 4533086
4-methoxy-N-[3-(4-methoxyphenyl)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 4247232
3-fluoro-N-[3-(4-fluorophenyl)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 5050446
4-[[3-[3-[(4-bromophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoylamino]methyl]-N-hydroxybenzamide
CID 155566620
N-[(5S)-5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-4-bromobenzamide
CID 1348212
N-[5-[2-(2-chloroanilino)-2-oxoethyl]-3-(4-fluorophenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 3384304
methyl 4-[[2-[3-[(4-bromobenzoyl)amino]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 5079824
4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-benzylbenzamide
CID 2180379
4-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-benzylbenzamide
CID 2180377
N-benzyl-4-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide
CID 53276683
N-benzyl-4-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 23314733

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide?
The IUPAC name of N-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide (CID 34881735) is N-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide.
What is the SMILES notation for N-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide?
The canonical SMILES for N-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide is O=C(C[C@H]1C(=O)N(c2ccccc2)C(=O)N1NC(=O)c1ccccc1)NCc1ccccc1.
What is the InChIKey of N-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide?
The InChIKey is QHIFZOVOEHPPTM-NRFANRHFSA-N. The full InChI is InChI=1S/C25H22N4O4/c30-22(26-17-18-10-4-1-5-11-18)16-21-24(32)28(20-14-8-3-9-15-20)25(33)29(21)27-23(31)19-12-6-2-7-13-19/h1-15,21H,16-17H2,(H,26,30)(H,27,31)/t21-/m0/s1.
What are the key properties of N-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide?
N-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide has a molecular weight of 442.48 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-[2-(benzylamino)-2-oxoethyl]-2,4-dioxo-3-phenylimidazolidin-1-yl]benzamide is sourced from PubChem (CID 34881735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).