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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Related Compounds

4-((5-(2-Oxo-3-(Pyridin-4-Yl)imidazolidin-1-Yl)pentyl)oxy)benzaldehyde O-Ethyl Oxime
CID 10250152
1-[5-[4-(2-Ethyltetrazol-5-yl)phenoxy]-3-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278489
1-[5-[4-[(Z)-ethoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58934084
1-[3-Methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278484
1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 91799322
1-(2-Amino-4-pyridinyl)-3-[5-[4-[(ethoxyamino)methyl]phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 155535387
1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one
CID 155536334
1-(4-Pyridyl)-3-[6-[4-(trifluoromethyl)phenoxy]hexyl]imidazolidin-2-one
CID 493080
Bproz-194
CID 493083
1-[5-[4-(4-Chlorophenyl)phenoxy]-3-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278469
1-[5-[4-(4-Chlorophenyl)phenoxy]-3-ethyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278470
1-[3-[2-[4-(4-Chlorophenyl)phenoxy]ethyl]hexyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278471

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).