2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone

C18H20ClN3O2 — CID 139002874

IUPAC2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cc(Cl)cc2c1OCC2)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C18H20ClN3O2/c19-15-8-12-3-7-24-17(12)14(9-15)10-16(23)22-6-1-2-13(11-22)18-20-4-5-21-18/h4-5,8-9,13H,1-3,6-7,10-11H2,(H,20,21)
InChIKeyUXDPECLRRGQMCR-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.95
Rot. Bonds3

About 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 139002874) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID139002874
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cc(Cl)cc2c1OCC2)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C18H20ClN3O2/c19-15-8-12-3-7-24-17(12)14(9-15)10-16(23)22-6-1-2-13(11-22)18-20-4-5-21-18/h4-5,8-9,13H,1-3,6-7,10-11H2,(H,20,21)
InChIKeyUXDPECLRRGQMCR-UHFFFAOYSA-N
XLogP2.95
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70718470
2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 136563425
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 70735417
N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 146123480
3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 70754418
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 70709077
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560871
(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97319285
[3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120939716
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 70749732

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone (CID 139002874) is 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone is O=C(Cc1cc(Cl)cc2c1OCC2)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is UXDPECLRRGQMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-15-8-12-3-7-24-17(12)14(9-15)10-16(23)22-6-1-2-13(11-22)18-20-4-5-21-18/h4-5,8-9,13H,1-3,6-7,10-11H2,(H,20,21).
What are the key properties of 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 345.83 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 139002874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).