1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one

C20H20N2O2 — CID 58137631

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one
SMILESO=C(Cc1cccc(C2=NCCN2)c1)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C20H20N2O2/c23-18(13-15-4-5-19-16(10-15)6-9-24-19)12-14-2-1-3-17(11-14)20-21-7-8-22-20/h1-5,10-11H,6-9,12-13H2,(H,21,22)
InChIKeyOZMDXYZVWQLZGZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.33
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one

1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one (PubChem CID 58137631) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one
PubChem CID58137631
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one
SMILESO=C(Cc1cccc(C2=NCCN2)c1)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C20H20N2O2/c23-18(13-15-4-5-19-16(10-15)6-9-24-19)12-14-2-1-3-17(11-14)20-21-7-8-22-20/h1-5,10-11H,6-9,12-13H2,(H,21,22)
InChIKeyOZMDXYZVWQLZGZ-UHFFFAOYSA-N
XLogP2.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one
CID 58137546
methyl 3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxopropyl]benzoate
CID 58137632
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
1-(3-chlorophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 65446055
[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methanamine
CID 54910506
2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid
CID 155498945
3-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzoic acid
CID 116927154
4-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-2-ylbutan-2-one
CID 65444542
2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid;methanesulfonic acid
CID 159656752
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110792403
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 110787098
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 56810771

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one (CID 58137631) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one is O=C(Cc1cccc(C2=NCCN2)c1)Cc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one?
The InChIKey is OZMDXYZVWQLZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-18(13-15-4-5-19-16(10-15)6-9-24-19)12-14-2-1-3-17(11-14)20-21-7-8-22-20/h1-5,10-11H,6-9,12-13H2,(H,21,22).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one has a molecular weight of 320.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one is sourced from PubChem (CID 58137631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).