(5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione

C24H26N4O4 — CID 92575708

IUPAC(5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CCC(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4)cc3)C2)N1
InChIInChI=1S/C24H26N4O4/c29-21(11-10-20-23(31)27-24(32)26-20)28-13-12-25-22(30)19(15-28)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,19-20H,10-15H2,(H,25,30)(H2,26,27,31,32)/t19-,20-/m0/s1
InChIKeyYFNZCYBHAHSIHN-PMACEKPBSA-N
MW434.50 g/mol
LogP1.46
Rot. Bonds6

About (5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione

(5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione (PubChem CID 92575708) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is (5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione
PubChem CID92575708
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name(5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CCC(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4)cc3)C2)N1
InChIInChI=1S/C24H26N4O4/c29-21(11-10-20-23(31)27-24(32)26-20)28-13-12-25-22(30)19(15-28)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,19-20H,10-15H2,(H,25,30)(H2,26,27,31,32)/t19-,20-/m0/s1
InChIKeyYFNZCYBHAHSIHN-PMACEKPBSA-N
XLogP1.46
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 164621686
(5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 124976368
(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 94150710
(6S)-6-[[4-(4-methoxyphenyl)phenyl]methyl]-1-propanoyl-1,4-diazepan-5-one
CID 95850745
(6S)-1-[2-(4-fluorophenyl)acetyl]-6-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 92575801
(6S)-1-[(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanoyl]-6-[(4-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 92564937
(6S)-1-[3-(4-methoxyphenyl)propanoyl]-6-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 92595623
5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 164610328
(6S)-6-[[4-(3-methylphenyl)phenyl]methyl]-1-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepan-5-one
CID 92561058
(5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione
CID 170509553
(6S)-4-ethyl-1-[3-[(2R)-oxolan-2-yl]propanoyl]-6-[(4-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 92591288
(6S)-1-[2-(4-methoxyphenyl)acetyl]-6-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one
CID 92595514

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione (CID 92575708) is (5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@H](CCC(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4)cc3)C2)N1.
What is the InChIKey of (5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is YFNZCYBHAHSIHN-PMACEKPBSA-N. The full InChI is InChI=1S/C24H26N4O4/c29-21(11-10-20-23(31)27-24(32)26-20)28-13-12-25-22(30)19(15-28)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,19-20H,10-15H2,(H,25,30)(H2,26,27,31,32)/t19-,20-/m0/s1.
What are the key properties of (5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione?
(5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 434.50 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 92575708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).