1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one

C24H21N5O3 — CID 58247767

IUPAC1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one
SMILESO=C(CCc1ccccc1)c1ccnc(N2CCN(Cc3ccc4nonc4c3)C2=O)c1
InChIInChI=1S/C24H21N5O3/c30-22(9-7-17-4-2-1-3-5-17)19-10-11-25-23(15-19)29-13-12-28(24(29)31)16-18-6-8-20-21(14-18)27-32-26-20/h1-6,8,10-11,14-15H,7,9,12-13,16H2
InChIKeySTPTVFGUNWKACU-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.88
Rot. Bonds7

About 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one

1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 58247767) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID58247767
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one
SMILESO=C(CCc1ccccc1)c1ccnc(N2CCN(Cc3ccc4nonc4c3)C2=O)c1
InChIInChI=1S/C24H21N5O3/c30-22(9-7-17-4-2-1-3-5-17)19-10-11-25-23(15-19)29-13-12-28(24(29)31)16-18-6-8-20-21(14-18)27-32-26-20/h1-6,8,10-11,14-15H,7,9,12-13,16H2
InChIKeySTPTVFGUNWKACU-UHFFFAOYSA-N
XLogP3.88
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one (CID 58247767) is 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one is O=C(CCc1ccccc1)c1ccnc(N2CCN(Cc3ccc4nonc4c3)C2=O)c1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is STPTVFGUNWKACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c30-22(9-7-17-4-2-1-3-5-17)19-10-11-25-23(15-19)29-13-12-28(24(29)31)16-18-6-8-20-21(14-18)27-32-26-20/h1-6,8,10-11,14-15H,7,9,12-13,16H2.
What are the key properties of 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one?
1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 427.46 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 58247767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).