5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile

C15H14N4O2 — CID 115743185

IUPAC5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNc2cccc(N3CCNC3=O)c2)o1
InChIInChI=1S/C15H14N4O2/c16-9-13-4-5-14(21-13)10-18-11-2-1-3-12(8-11)19-7-6-17-15(19)20/h1-5,8,18H,6-7,10H2,(H,17,20)
InChIKeyMZAIYPWGMBUMCT-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.29
Rot. Bonds4

About 5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile

5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile (PubChem CID 115743185) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile
PubChem CID115743185
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNc2cccc(N3CCNC3=O)c2)o1
InChIInChI=1S/C15H14N4O2/c16-9-13-4-5-14(21-13)10-18-11-2-1-3-12(8-11)19-7-6-17-15(19)20/h1-5,8,18H,6-7,10H2,(H,17,20)
InChIKeyMZAIYPWGMBUMCT-UHFFFAOYSA-N
XLogP2.29
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115652504
5-[(3-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile
CID 115743993
1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one
CID 62761809
1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one
CID 43696383
1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one
CID 43696493
N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide
CID 115652476
1-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]imidazolidin-2-one
CID 62344548
1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one
CID 104878813
5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile
CID 115692616
2,2-dimethyl-5-[[3-(2-oxoimidazolidin-1-yl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168539171
3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 63679045
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile (CID 115743185) is 5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile is N#Cc1ccc(CNc2cccc(N3CCNC3=O)c2)o1.
What is the InChIKey of 5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile?
The InChIKey is MZAIYPWGMBUMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-9-13-4-5-14(21-13)10-18-11-2-1-3-12(8-11)19-7-6-17-15(19)20/h1-5,8,18H,6-7,10H2,(H,17,20).
What are the key properties of 5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile?
5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115743185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).