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

C19H27N5O — CID 45272434

IUPAC3-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile
SMILESCC(C)N1CCN(CCN2CCN(c3cccc(C#N)c3)C2=O)CC1
InChIInChI=1S/C19H27N5O/c1-16(2)22-9-6-21(7-10-22)8-11-23-12-13-24(19(23)25)18-5-3-4-17(14-18)15-20/h3-5,14,16H,6-13H2,1-2H3
InChIKeyLVPCPZRNWKXHTK-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.83
Rot. Bonds5

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

3-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile (PubChem CID 45272434) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile
PubChem CID45272434
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name3-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile
SMILESCC(C)N1CCN(CCN2CCN(c3cccc(C#N)c3)C2=O)CC1
InChIInChI=1S/C19H27N5O/c1-16(2)22-9-6-21(7-10-22)8-11-23-12-13-24(19(23)25)18-5-3-4-17(14-18)15-20/h3-5,14,16H,6-13H2,1-2H3
InChIKeyLVPCPZRNWKXHTK-UHFFFAOYSA-N
XLogP1.83
TPSA53.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 2987636
4-methyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperazine-1-carboxamide
CID 25264122
N-(2,5-dimethylphenyl)-N'-[2-(4-propylpiperazin-1-yl)ethyl]urea
CID 22430388
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-(3-trifluoromethyl-phenyl)-imidazolidin-2-one
CID 10545037
3-(4-Propylpiperazin-1-yl)benzonitrile
CID 22397822
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
(10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 127047229
N-(3-methylphenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 6471094
1-(1-Aza-bicyclo[2.2.2]oct-3-yl)-3-m-tolyl-imidazolidin-2-one
CID 10517268

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile?
The IUPAC name of 3-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile (CID 45272434) is 3-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile.
What is the SMILES notation for 3-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile?
The canonical SMILES for 3-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile is CC(C)N1CCN(CCN2CCN(c3cccc(C#N)c3)C2=O)CC1.
What is the InChIKey of 3-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile?
The InChIKey is LVPCPZRNWKXHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-16(2)22-9-6-21(7-10-22)8-11-23-12-13-24(19(23)25)18-5-3-4-17(14-18)15-20/h3-5,14,16H,6-13H2,1-2H3.
What are the key properties of 3-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile?
3-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile has a molecular weight of 341.46 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile is sourced from PubChem (CID 45272434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).