1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone

C17H18N4O2 — CID 129329066

IUPAC1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2coc3ccccc23)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C17H18N4O2/c1-20-8-9-21(10-14(20)16-18-6-7-19-16)17(22)13-11-23-15-5-3-2-4-12(13)15/h2-7,11,14H,8-10H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyDEJABBHYWZOIBF-CQSZACIVSA-N
MW310.36 g/mol
LogP2.28
Rot. Bonds2

About 1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone

1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone (PubChem CID 129329066) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
PubChem CID129329066
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2coc3ccccc23)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C17H18N4O2/c1-20-8-9-21(10-14(20)16-18-6-7-19-16)17(22)13-11-23-15-5-3-2-4-12(13)15/h2-7,11,14H,8-10H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyDEJABBHYWZOIBF-CQSZACIVSA-N
XLogP2.28
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 129332731
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 129328621
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 129329822
[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 128993003
(2S)-2-hydroxy-1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-phenylethanone
CID 128987740
[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 129337065
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 129337486
4-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carbonyl]-3-methylbenzonitrile
CID 129331848
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 129341861
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(2S,3R)-2-methyloxolan-3-yl]methanone
CID 129332032
1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 129337757
(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129337888

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone (CID 129329066) is 1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone is CN1CCN(C(=O)c2coc3ccccc23)C[C@@H]1c1ncc[nH]1.
What is the InChIKey of 1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone?
The InChIKey is DEJABBHYWZOIBF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-20-8-9-21(10-14(20)16-18-6-7-19-16)17(22)13-11-23-15-5-3-2-4-12(13)15/h2-7,11,14H,8-10H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of 1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone?
1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone has a molecular weight of 310.36 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 129329066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).