1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one

C16H25N3O2 — CID 81401096

IUPAC1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one
SMILESCCC(CC)(CO)CNc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C16H25N3O2/c1-3-16(4-2,12-20)11-18-13-6-5-7-14(10-13)19-9-8-17-15(19)21/h5-7,10,18,20H,3-4,8-9,11-12H2,1-2H3,(H,17,21)
InChIKeyKBPLEBDZBKBSOF-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.43
Rot. Bonds7

About 1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one

1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one (PubChem CID 81401096) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one
PubChem CID81401096
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one
SMILESCCC(CC)(CO)CNc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C16H25N3O2/c1-3-16(4-2,12-20)11-18-13-6-5-7-14(10-13)19-9-8-17-15(19)21/h5-7,10,18,20H,3-4,8-9,11-12H2,1-2H3,(H,17,21)
InChIKeyKBPLEBDZBKBSOF-UHFFFAOYSA-N
XLogP2.43
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol
CID 81412463
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 63679045
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 94799953
1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one
CID 43696493
1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 81411006
1-[3-(2-methylpentan-3-ylamino)phenyl]imidazolidin-2-one
CID 43783652
1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one
CID 43696383
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 154834572
2,2-dimethyl-5-[[3-(2-oxoimidazolidin-1-yl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168539171
(2S)-2-amino-N-[3-(2-oxoimidazolidin-1-yl)phenyl]hexanamide
CID 103831459
2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 107903731

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one (CID 81401096) is 1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one is CCC(CC)(CO)CNc1cccc(N2CCNC2=O)c1.
What is the InChIKey of 1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one?
The InChIKey is KBPLEBDZBKBSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-16(4-2,12-20)11-18-13-6-5-7-14(10-13)19-9-8-17-15(19)21/h5-7,10,18,20H,3-4,8-9,11-12H2,1-2H3,(H,17,21).
What are the key properties of 1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one?
1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one has a molecular weight of 291.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one is sourced from PubChem (CID 81401096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).