2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile

C19H26FN5O — CID 45273293

IUPAC2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile
SMILESCC(C)N1CCN(CCN2CCN(c3ccc(F)c(C#N)c3)C2=O)CC1
InChIInChI=1S/C19H26FN5O/c1-15(2)23-8-5-22(6-9-23)7-10-24-11-12-25(19(24)26)17-3-4-18(20)16(13-17)14-21/h3-4,13,15H,5-12H2,1-2H3
InChIKeySDVCLZNNONYWDK-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.97
Rot. Bonds5

About 2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile

2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile (PubChem CID 45273293) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile
PubChem CID45273293
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Name2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile
SMILESCC(C)N1CCN(CCN2CCN(c3ccc(F)c(C#N)c3)C2=O)CC1
InChIInChI=1S/C19H26FN5O/c1-15(2)23-8-5-22(6-9-23)7-10-24-11-12-25(19(24)26)17-3-4-18(20)16(13-17)14-21/h3-4,13,15H,5-12H2,1-2H3
InChIKeySDVCLZNNONYWDK-UHFFFAOYSA-N
XLogP1.97
TPSA53.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2,4-difluorophenyl)-2,5-dimethylpiperazine-1-carboxamide
CID 11178122
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-trifluoromethyl-phenyl)-imidazolidin-2-one
CID 10545037
8K5G4U34CU
CID 44249745
C2Pjp69bqr
CID 44622882
1-(Piperidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 46881466
1-[2-(Azepan-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 46882051
1-(4-fluorobenzyl)-3-(4-fluorophenyl)tetrahydro-2H-imidazol-2-one
CID 4205196
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-m-tolyl-imidazolidin-2-one
CID 10517268
3-[3-(1-Aza-bicyclo[2.2.2]oct-3-yl)-2-oxo-imidazolidin-1-yl]-benzonitrile
CID 10541977
1-(3-Cyano-phenyl)-3-{3-[4-(2-fluoro-benzyl)-piperidin-1-yl]-propyl}-urea
CID 22393307
1-(3-Cyano-phenyl)-3-{3-[3-(4-fluoro-benzyl)-piperidin-1-yl]-propyl}-urea
CID 22393329
1-(3-Cyano-phenyl)-3-{3-[3-(2-fluoro-benzyl)-piperidin-1-yl]-propyl}-urea
CID 22393395

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile (CID 45273293) is 2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile is CC(C)N1CCN(CCN2CCN(c3ccc(F)c(C#N)c3)C2=O)CC1.
What is the InChIKey of 2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile?
The InChIKey is SDVCLZNNONYWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O/c1-15(2)23-8-5-22(6-9-23)7-10-24-11-12-25(19(24)26)17-3-4-18(20)16(13-17)14-21/h3-4,13,15H,5-12H2,1-2H3.
What are the key properties of 2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile?
2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile has a molecular weight of 359.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile is sourced from PubChem (CID 45273293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).