2-amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one

C20H23N3O — CID 44530243

IUPAC2-amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one
SMILESCCC1(c2ccccc2)N=C(N)N(CCCc2ccccc2)C1=O
InChIInChI=1S/C20H23N3O/c1-2-20(17-13-7-4-8-14-17)18(24)23(19(21)22-20)15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14H,2,9,12,15H2,1H3,(H2,21,22)
InChIKeyKPERDERFECZANU-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.08
Rot. Bonds6

About 2-amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one

2-amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one (PubChem CID 44530243) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one
PubChem CID44530243
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one
SMILESCCC1(c2ccccc2)N=C(N)N(CCCc2ccccc2)C1=O
InChIInChI=1S/C20H23N3O/c1-2-20(17-13-7-4-8-14-17)18(24)23(19(21)22-20)15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14H,2,9,12,15H2,1H3,(H2,21,22)
InChIKeyKPERDERFECZANU-UHFFFAOYSA-N
XLogP3.08
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one?
The IUPAC name of 2-amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one (CID 44530243) is 2-amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one is CCC1(c2ccccc2)N=C(N)N(CCCc2ccccc2)C1=O.
What is the InChIKey of 2-amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one?
The InChIKey is KPERDERFECZANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-2-20(17-13-7-4-8-14-17)18(24)23(19(21)22-20)15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14H,2,9,12,15H2,1H3,(H2,21,22).
What are the key properties of 2-amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one?
2-amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one has a molecular weight of 321.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-5-phenyl-3-(3-phenylpropyl)imidazol-4-one is sourced from PubChem (CID 44530243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).