1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione

C27H46N4O2 — CID 70594836

IUPAC1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCCCCN(CCCC)CN1C(=O)C(c2ccccc2)N(CN(CCCC)CCCC)C1=O
InChIInChI=1S/C27H46N4O2/c1-5-9-18-28(19-10-6-2)22-30-25(24-16-14-13-15-17-24)26(32)31(27(30)33)23-29(20-11-7-3)21-12-8-4/h13-17,25H,5-12,18-23H2,1-4H3
InChIKeyBBZYLAPEXZTCAG-UHFFFAOYSA-N
MW458.69 g/mol
LogP5.71
Rot. Bonds17

About 1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione

1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 70594836) has the molecular formula C27H46N4O2 and a molecular weight of 458.69 g/mol. Its IUPAC name is 1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID70594836
Molecular FormulaC27H46N4O2
Molecular Weight458.69 g/mol
Exact Mass458.36
IUPAC Name1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCCCCN(CCCC)CN1C(=O)C(c2ccccc2)N(CN(CCCC)CCCC)C1=O
InChIInChI=1S/C27H46N4O2/c1-5-9-18-28(19-10-6-2)22-30-25(24-16-14-13-15-17-24)26(32)31(27(30)33)23-29(20-11-7-3)21-12-8-4/h13-17,25H,5-12,18-23H2,1-4H3
InChIKeyBBZYLAPEXZTCAG-UHFFFAOYSA-N
XLogP5.71
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.69
LogP ≤ 55.71
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

Ethotoin
CID 3292
Mephenytoin
CID 4060
Mephenytoin, (+)-
CID 107921
Phenylhydantoin
CID 1002
Methetoin
CID 21908
2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
2,4-Imidazolidinedione, 5,5-diphenyl-3-(3-(1-piperidinyl)propyl)-
CID 3041343
(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
3-Methyl-5,5-diphenylimidazolidine-2,4-dione
CID 77899
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pentanamide
CID 4264496
5-(4-Fluorophenyl)imidazolidine-2,4-dione
CID 265439
3-Benzyl-2,5-dioxo-4,4-dimethylimidazolidine
CID 4601988

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione (CID 70594836) is 1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione is CCCCN(CCCC)CN1C(=O)C(c2ccccc2)N(CN(CCCC)CCCC)C1=O.
What is the InChIKey of 1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is BBZYLAPEXZTCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N4O2/c1-5-9-18-28(19-10-6-2)22-30-25(24-16-14-13-15-17-24)26(32)31(27(30)33)23-29(20-11-7-3)21-12-8-4/h13-17,25H,5-12,18-23H2,1-4H3.
What are the key properties of 1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione?
1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 458.69 g/mol, XLogP of 5.71, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(dibutylamino)methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 70594836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).