3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile

C12H14N4O — CID 28581002

IUPAC3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile
SMILESN#Cc1cccc(NCCN2CCNC2=O)c1
InChIInChI=1S/C12H14N4O/c13-9-10-2-1-3-11(8-10)14-4-6-16-7-5-15-12(16)17/h1-3,8,14H,4-7H2,(H,15,17)
InChIKeyMBOSMOXPZMQJKN-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.00
Rot. Bonds4

About 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile

3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile (PubChem CID 28581002) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile
PubChem CID28581002
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile
SMILESN#Cc1cccc(NCCN2CCNC2=O)c1
InChIInChI=1S/C12H14N4O/c13-9-10-2-1-3-11(8-10)14-4-6-16-7-5-15-12(16)17/h1-3,8,14H,4-7H2,(H,15,17)
InChIKeyMBOSMOXPZMQJKN-UHFFFAOYSA-N
XLogP1.00
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluoroanilino)ethyl]imidazolidin-2-one
CID 28580726
1-(2-anilinoethyl)imidazolidin-2-one
CID 28565231
N-[3-[2-(2-oxoimidazolidin-1-yl)ethylamino]phenyl]acetamide
CID 28579397
3-chloro-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile
CID 107807856
3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021
3-(2-piperidin-1-ylethylamino)benzonitrile
CID 102815794
3-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile
CID 82897372
3-(2-thiomorpholin-4-ylethylamino)benzonitrile
CID 106325499
1-[2-(2-bromo-6-fluoroanilino)ethyl]imidazolidin-2-one
CID 107599493
3-(4-aminobutylamino)benzonitrile
CID 94253346
1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one
CID 115564338
3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile
CID 43065474

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile?
The IUPAC name of 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile (CID 28581002) is 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile.
What is the SMILES notation for 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile?
The canonical SMILES for 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile is N#Cc1cccc(NCCN2CCNC2=O)c1.
What is the InChIKey of 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile?
The InChIKey is MBOSMOXPZMQJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-9-10-2-1-3-11(8-10)14-4-6-16-7-5-15-12(16)17/h1-3,8,14H,4-7H2,(H,15,17).
What are the key properties of 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile?
3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile has a molecular weight of 230.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile is sourced from PubChem (CID 28581002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).