3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-(2-aminophenyl)-4-phenylimidazolidin-2-one

C24H33N5O — CID 68777461

IUPAC3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-(2-aminophenyl)-4-phenylimidazolidin-2-one
SMILESCC(CCN)N1CCC(N2C(=O)N(c3ccccc3N)CC2c2ccccc2)CC1
InChIInChI=1S/C24H33N5O/c1-18(11-14-25)27-15-12-20(13-16-27)29-23(19-7-3-2-4-8-19)17-28(24(29)30)22-10-6-5-9-21(22)26/h2-10,18,20,23H,11-17,25-26H2,1H3
InChIKeyAFGVKPRSVUTQOB-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.45
Rot. Bonds6

About 3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-(2-aminophenyl)-4-phenylimidazolidin-2-one

3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-(2-aminophenyl)-4-phenylimidazolidin-2-one (PubChem CID 68777461) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-(2-aminophenyl)-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-(2-aminophenyl)-4-phenylimidazolidin-2-one
PubChem CID68777461
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-(2-aminophenyl)-4-phenylimidazolidin-2-one
SMILESCC(CCN)N1CCC(N2C(=O)N(c3ccccc3N)CC2c2ccccc2)CC1
InChIInChI=1S/C24H33N5O/c1-18(11-14-25)27-15-12-20(13-16-27)29-23(19-7-3-2-4-8-19)17-28(24(29)30)22-10-6-5-9-21(22)26/h2-10,18,20,23H,11-17,25-26H2,1H3
InChIKeyAFGVKPRSVUTQOB-UHFFFAOYSA-N
XLogP3.45
TPSA78.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-(2-aminophenyl)-4-phenylimidazolidin-2-one?
The IUPAC name of 3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-(2-aminophenyl)-4-phenylimidazolidin-2-one (CID 68777461) is 3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-(2-aminophenyl)-4-phenylimidazolidin-2-one.
What is the SMILES notation for 3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-(2-aminophenyl)-4-phenylimidazolidin-2-one?
The canonical SMILES for 3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-(2-aminophenyl)-4-phenylimidazolidin-2-one is CC(CCN)N1CCC(N2C(=O)N(c3ccccc3N)CC2c2ccccc2)CC1.
What is the InChIKey of 3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-(2-aminophenyl)-4-phenylimidazolidin-2-one?
The InChIKey is AFGVKPRSVUTQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-18(11-14-25)27-15-12-20(13-16-27)29-23(19-7-3-2-4-8-19)17-28(24(29)30)22-10-6-5-9-21(22)26/h2-10,18,20,23H,11-17,25-26H2,1H3.
What are the key properties of 3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-(2-aminophenyl)-4-phenylimidazolidin-2-one?
3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-(2-aminophenyl)-4-phenylimidazolidin-2-one has a molecular weight of 407.56 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-aminobutan-2-yl)piperidin-4-yl]-1-(2-aminophenyl)-4-phenylimidazolidin-2-one is sourced from PubChem (CID 68777461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).