1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone

C20H23N3O2 — CID 124970536

IUPAC1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
SMILESCc1ccc2c(CC(=O)N3CCC[C@@H]3c3nc(C)cn3C)coc2c1
InChIInChI=1S/C20H23N3O2/c1-13-6-7-16-15(12-25-18(16)9-13)10-19(24)23-8-4-5-17(23)20-21-14(2)11-22(20)3/h6-7,9,11-12,17H,4-5,8,10H2,1-3H3/t17-/m1/s1
InChIKeyJQRXJGYSEQXZHM-QGZVFWFLSA-N
MW337.42 g/mol
LogP3.69
Rot. Bonds3

About 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone

1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone (PubChem CID 124970536) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
PubChem CID124970536
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
SMILESCc1ccc2c(CC(=O)N3CCC[C@@H]3c3nc(C)cn3C)coc2c1
InChIInChI=1S/C20H23N3O2/c1-13-6-7-16-15(12-25-18(16)9-13)10-19(24)23-8-4-5-17(23)20-21-14(2)11-22(20)3/h6-7,9,11-12,17H,4-5,8,10H2,1-3H3/t17-/m1/s1
InChIKeyJQRXJGYSEQXZHM-QGZVFWFLSA-N
XLogP3.69
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-1-benzofuran-3-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 124957195
1-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43239499
2-(6-methyl-1-benzofuran-3-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 18872264
2-(6-methyl-1-benzofuran-3-yl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 51504317
1-[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 124941800
1-[(2R)-2-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 92560333
2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 18872267
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 124962035
2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124964719
2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 167770762
(E)-1-[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 110104334
5-[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 124974307

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone (CID 124970536) is 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone is Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3nc(C)cn3C)coc2c1.
What is the InChIKey of 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone?
The InChIKey is JQRXJGYSEQXZHM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-6-7-16-15(12-25-18(16)9-13)10-19(24)23-8-4-5-17(23)20-21-14(2)11-22(20)3/h6-7,9,11-12,17H,4-5,8,10H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone?
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone has a molecular weight of 337.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 124970536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).