1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one

C14H17N3O3 — CID 35625729

IUPAC1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one
SMILESC[C@H](Nc1ccc2c(c1)CCO2)C(=O)N1CCNC1=O
InChIInChI=1S/C14H17N3O3/c1-9(13(18)17-6-5-15-14(17)19)16-11-2-3-12-10(8-11)4-7-20-12/h2-3,8-9,16H,4-7H2,1H3,(H,15,19)/t9-/m0/s1
InChIKeyYVBZPSGCEPMSGG-VIFPVBQESA-N
MW275.31 g/mol
LogP0.97
Rot. Bonds3

About 1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one

1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one (PubChem CID 35625729) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one
PubChem CID35625729
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one
SMILESC[C@H](Nc1ccc2c(c1)CCO2)C(=O)N1CCNC1=O
InChIInChI=1S/C14H17N3O3/c1-9(13(18)17-6-5-15-14(17)19)16-11-2-3-12-10(8-11)4-7-20-12/h2-3,8-9,16H,4-7H2,1H3,(H,15,19)/t9-/m0/s1
InChIKeyYVBZPSGCEPMSGG-VIFPVBQESA-N
XLogP0.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,3-dihydro-1H-inden-5-ylamino)propanoyl]imidazolidin-2-one
CID 47010805
1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one
CID 39975330
1-[2-(3-chloro-4-methoxyanilino)propanoyl]imidazolidin-2-one
CID 18097375
N-methyl-3-[[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]amino]benzamide
CID 18097406
1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one
CID 39975466
2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 107903969
1-[2-(3-benzyl-4-methoxyanilino)propanoyl]imidazolidin-2-one
CID 24561870
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7830463
1-[(2S)-2-[4-[[(2S)-oxolan-2-yl]methoxy]anilino]propanoyl]imidazolidin-2-one
CID 94642990
4-chloro-N-[3-[[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]amino]phenyl]benzenesulfonamide
CID 35657927
(2R)-2-(1,3-benzodioxol-5-ylamino)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7509416
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one (CID 35625729) is 1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one is C[C@H](Nc1ccc2c(c1)CCO2)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one?
The InChIKey is YVBZPSGCEPMSGG-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(13(18)17-6-5-15-14(17)19)16-11-2-3-12-10(8-11)4-7-20-12/h2-3,8-9,16H,4-7H2,1H3,(H,15,19)/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one?
1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one has a molecular weight of 275.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,3-dihydro-1-benzofuran-5-ylamino)propanoyl]imidazolidin-2-one is sourced from PubChem (CID 35625729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).