4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile

C21H24N4O2 — CID 11245460

IUPAC4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile
SMILESCC(CCOc1ccc(C#N)cc1)CCN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C21H24N4O2/c1-17(9-15-27-20-4-2-18(16-22)3-5-20)8-12-24-13-14-25(21(24)26)19-6-10-23-11-7-19/h2-7,10-11,17H,8-9,12-15H2,1H3
InChIKeyMTCRVNAXHGJBDA-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.69
Rot. Bonds8

About 4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile

4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile (PubChem CID 11245460) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile.

Molecular Properties

Compound Name4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile
PubChem CID11245460
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile
SMILESCC(CCOc1ccc(C#N)cc1)CCN1CCN(c2ccncc2)C1=O
InChIInChI=1S/C21H24N4O2/c1-17(9-15-27-20-4-2-18(16-22)3-5-20)8-12-24-13-14-25(21(24)26)19-6-10-23-11-7-19/h2-7,10-11,17H,8-9,12-15H2,1H3
InChIKeyMTCRVNAXHGJBDA-UHFFFAOYSA-N
XLogP3.69
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile?
The IUPAC name of 4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile (CID 11245460) is 4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile.
What is the SMILES notation for 4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile?
The canonical SMILES for 4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile is CC(CCOc1ccc(C#N)cc1)CCN1CCN(c2ccncc2)C1=O.
What is the InChIKey of 4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile?
The InChIKey is MTCRVNAXHGJBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-17(9-15-27-20-4-2-18(16-22)3-5-20)8-12-24-13-14-25(21(24)26)19-6-10-23-11-7-19/h2-7,10-11,17H,8-9,12-15H2,1H3.
What are the key properties of 4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile?
4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile has a molecular weight of 364.45 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]benzonitrile is sourced from PubChem (CID 11245460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).