1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one

C21H23N3O2 — CID 58247859

IUPAC1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one
SMILESO=C(CCc1ccccc1)c1ccnc(N2CCN(CC3CC3)C2=O)c1
InChIInChI=1S/C21H23N3O2/c25-19(9-8-16-4-2-1-3-5-16)18-10-11-22-20(14-18)24-13-12-23(21(24)26)15-17-6-7-17/h1-5,10-11,14,17H,6-9,12-13,15H2
InChIKeyOAMDCAOEZMRJAK-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.55
Rot. Bonds7

About 1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one

1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 58247859) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID58247859
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one
SMILESO=C(CCc1ccccc1)c1ccnc(N2CCN(CC3CC3)C2=O)c1
InChIInChI=1S/C21H23N3O2/c25-19(9-8-16-4-2-1-3-5-16)18-10-11-22-20(14-18)24-13-12-23(21(24)26)15-17-6-7-17/h1-5,10-11,14,17H,6-9,12-13,15H2
InChIKeyOAMDCAOEZMRJAK-UHFFFAOYSA-N
XLogP3.55
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one (CID 58247859) is 1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one is O=C(CCc1ccccc1)c1ccnc(N2CCN(CC3CC3)C2=O)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is OAMDCAOEZMRJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-19(9-8-16-4-2-1-3-5-16)18-10-11-22-20(14-18)24-13-12-23(21(24)26)15-17-6-7-17/h1-5,10-11,14,17H,6-9,12-13,15H2.
What are the key properties of 1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one?
1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 349.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[4-(3-phenylpropanoyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 58247859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).