(5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione

C25H30N4O2 — CID 9193268

IUPAC(5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(C2CC2)NC(=O)N(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O
InChIInChI=1S/C25H30N4O2/c1-25(21-12-13-21)23(30)29(24(31)26-25)18-27-14-16-28(17-15-27)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21-22H,12-18H2,1H3,(H,26,31)/t25-/m0/s1
InChIKeyXRVURFSPYNIYDL-VWLOTQADSA-N
MW418.54 g/mol
LogP3.07
Rot. Bonds6

About (5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione

(5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (PubChem CID 9193268) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is (5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
PubChem CID9193268
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name(5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(C2CC2)NC(=O)N(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O
InChIInChI=1S/C25H30N4O2/c1-25(21-12-13-21)23(30)29(24(31)26-25)18-27-14-16-28(17-15-27)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21-22H,12-18H2,1H3,(H,26,31)/t25-/m0/s1
InChIKeyXRVURFSPYNIYDL-VWLOTQADSA-N
XLogP3.07
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 24542027
3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 42937052
(5R)-5-cyclopropyl-3-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 31325392
(5R)-5-cyclopropyl-5-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 34647547
3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-heptyl-5-phenylimidazolidine-2,4-dione
CID 11330140
5-(4-chlorophenyl)-5-cyclopropyl-3-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 56662757
(5S)-5-cyclopropyl-3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 9235504
3-[(4-benzhydrylpiperazin-1-yl)methyl]-1-oxa-3-azaspiro[4.4]nonane-2,4-dione
CID 12857771
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 78807544
1'-[(4-benzhydrylpiperazin-1-yl)methyl]spiro[1,3-dioxepane-2,3'-indole]-2'-one
CID 2001450
ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate
CID 9281878
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 78791485

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (CID 9193268) is (5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is C[C@@]1(C2CC2)NC(=O)N(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O.
What is the InChIKey of (5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The InChIKey is XRVURFSPYNIYDL-VWLOTQADSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-25(21-12-13-21)23(30)29(24(31)26-25)18-27-14-16-28(17-15-27)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21-22H,12-18H2,1H3,(H,26,31)/t25-/m0/s1.
What are the key properties of (5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
(5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione has a molecular weight of 418.54 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 9193268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).