3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile

C15H17ClN4O — CID 133319615

IUPAC3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile
SMILESN#Cc1cccc(Cl)c1N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C15H17ClN4O/c16-13-3-1-2-11(10-17)14(13)19-7-4-12(5-8-19)20-9-6-18-15(20)21/h1-3,12H,4-9H2,(H,18,21)
InChIKeyCUYDWGSPDIBXSA-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.21
Rot. Bonds2

About 3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile

3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile (PubChem CID 133319615) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile
PubChem CID133319615
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile
SMILESN#Cc1cccc(Cl)c1N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C15H17ClN4O/c16-13-3-1-2-11(10-17)14(13)19-7-4-12(5-8-19)20-9-6-18-15(20)21/h1-3,12H,4-9H2,(H,18,21)
InChIKeyCUYDWGSPDIBXSA-UHFFFAOYSA-N
XLogP2.21
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile?
The IUPAC name of 3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile (CID 133319615) is 3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile is N#Cc1cccc(Cl)c1N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile?
The InChIKey is CUYDWGSPDIBXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-13-3-1-2-11(10-17)14(13)19-7-4-12(5-8-19)20-9-6-18-15(20)21/h1-3,12H,4-9H2,(H,18,21).
What are the key properties of 3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile?
3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile has a molecular weight of 304.78 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 133319615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).