1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one

C15H18N2O2 — CID 116625117

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CC2COc3ccccc32)c1=O
InChIInChI=1S/C15H18N2O2/c1-11(2)17-8-7-16(15(17)18)9-12-10-19-14-6-4-3-5-13(12)14/h3-8,11-12H,9-10H2,1-2H3
InChIKeyQCKCOYLBVJOCMJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.41
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one (PubChem CID 116625117) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one
PubChem CID116625117
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CC2COc3ccccc32)c1=O
InChIInChI=1S/C15H18N2O2/c1-11(2)17-8-7-16(15(17)18)9-12-10-19-14-6-4-3-5-13(12)14/h3-8,11-12H,9-10H2,1-2H3
InChIKeyQCKCOYLBVJOCMJ-UHFFFAOYSA-N
XLogP2.41
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpyridin-2-one
CID 79355230
6-chloro-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-iodopyrimidin-4-one
CID 114583853
N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 79230369
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole
CID 104771549
4-chloro-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole
CID 116623721
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)indole-5-carbaldehyde
CID 102910583
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
3-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79229188
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
3-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methylpyridin-2-one
CID 107073081

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one (CID 116625117) is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(CC2COc3ccccc32)c1=O.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one?
The InChIKey is QCKCOYLBVJOCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(2)17-8-7-16(15(17)18)9-12-10-19-14-6-4-3-5-13(12)14/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one?
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 116625117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).