3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

C29H32N4O2 — CID 4968920

IUPAC3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCCC1(c2ccccc2)NC(=O)N(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O
InChIInChI=1S/C29H32N4O2/c1-2-29(25-16-10-5-11-17-25)27(34)33(28(35)30-29)22-31-18-20-32(21-19-31)26(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,26H,2,18-22H2,1H3,(H,30,35)
InChIKeyJGOPZNPBUGVHMP-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.21
Rot. Bonds7

About 3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 4968920) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID4968920
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCCC1(c2ccccc2)NC(=O)N(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O
InChIInChI=1S/C29H32N4O2/c1-2-29(25-16-10-5-11-17-25)27(34)33(28(35)30-29)22-31-18-20-32(21-19-31)26(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,26H,2,18-22H2,1H3,(H,30,35)
InChIKeyJGOPZNPBUGVHMP-UHFFFAOYSA-N
XLogP4.21
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 4968920) is 3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is CCC1(c2ccccc2)NC(=O)N(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O.
What is the InChIKey of 3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is JGOPZNPBUGVHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-2-29(25-16-10-5-11-17-25)27(34)33(28(35)30-29)22-31-18-20-32(21-19-31)26(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,26H,2,18-22H2,1H3,(H,30,35).
What are the key properties of 3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 468.60 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 4968920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).