4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one

C14H19N3O2 — CID 116978273

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one
SMILESCNCCN1CC(c2ccc3c(c2)CCO3)NC1=O
InChIInChI=1S/C14H19N3O2/c1-15-5-6-17-9-12(16-14(17)18)10-2-3-13-11(8-10)4-7-19-13/h2-3,8,12,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyWYBJWGLEYKSGMO-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.91
Rot. Bonds4

About 4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one

4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one (PubChem CID 116978273) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one
PubChem CID116978273
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one
SMILESCNCCN1CC(c2ccc3c(c2)CCO3)NC1=O
InChIInChI=1S/C14H19N3O2/c1-15-5-6-17-9-12(16-14(17)18)10-2-3-13-11(8-10)4-7-19-13/h2-3,8,12,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyWYBJWGLEYKSGMO-UHFFFAOYSA-N
XLogP0.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylimidazolidin-2-one
CID 116981042
1-(2-aminopropyl)-4-(2,3-dihydro-1-benzofuran-5-yl)imidazolidin-2-one
CID 116978412
4-(3-fluorophenyl)-1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 116978279
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one
CID 116980972
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 96763073
4-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-1,5-dihydroimidazol-2-one
CID 79960453
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclopentan-1-amine
CID 104544129
ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidine-3-carboxylate
CID 134162421
5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine
CID 76936947
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine
CID 96765724
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine
CID 115197732

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one (CID 116978273) is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one is CNCCN1CC(c2ccc3c(c2)CCO3)NC1=O.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one?
The InChIKey is WYBJWGLEYKSGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-5-6-17-9-12(16-14(17)18)10-2-3-13-11(8-10)4-7-19-13/h2-3,8,12,15H,4-7,9H2,1H3,(H,16,18).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one?
4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(methylamino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 116978273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).