5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione

C24H28N4O3 — CID 2954380

IUPAC5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)C(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)N(C)C1=O
InChIInChI=1S/C24H28N4O3/c1-25-20(23(30)26(2)24(25)31)17-21(29)27-13-15-28(16-14-27)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,22H,13-17H2,1-2H3
InChIKeyQXMPGENNBTZCSH-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.20
Rot. Bonds5

About 5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione

5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione (PubChem CID 2954380) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione
PubChem CID2954380
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)C(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)N(C)C1=O
InChIInChI=1S/C24H28N4O3/c1-25-20(23(30)26(2)24(25)31)17-21(29)27-13-15-28(16-14-27)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,22H,13-17H2,1-2H3
InChIKeyQXMPGENNBTZCSH-UHFFFAOYSA-N
XLogP2.20
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione
CID 97110330
1-(4-benzhydrylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 52894453
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826687
1-(4-benzhydrylpiperazin-1-yl)-4,4-diphenylbutan-1-one
CID 11842614
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
1-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 46099721
1-(4-benzhydrylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119940612
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-methylprop-2-enamide
CID 166406509
5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide
CID 70074590

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione (CID 2954380) is 5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione is CN1C(=O)C(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)N(C)C1=O.
What is the InChIKey of 5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione?
The InChIKey is QXMPGENNBTZCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-25-20(23(30)26(2)24(25)31)17-21(29)27-13-15-28(16-14-27)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,22H,13-17H2,1-2H3.
What are the key properties of 5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione?
5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione has a molecular weight of 420.51 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 2954380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).