(7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

C20H24N4O3 — CID 90533621

IUPAC(7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1cccc2cc(C(=O)N3CCN(CCn4ccnc4C)CC3)oc12
InChIInChI=1S/C20H24N4O3/c1-15-21-6-7-23(15)11-8-22-9-12-24(13-10-22)20(25)18-14-16-4-3-5-17(26-2)19(16)27-18/h3-7,14H,8-13H2,1-2H3
InChIKeyQWDHUTJGFXMCOC-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.40
Rot. Bonds5

About (7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

(7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 90533621) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID90533621
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1cccc2cc(C(=O)N3CCN(CCn4ccnc4C)CC3)oc12
InChIInChI=1S/C20H24N4O3/c1-15-21-6-7-23(15)11-8-22-9-12-24(13-10-22)20(25)18-14-16-4-3-5-17(26-2)19(16)27-18/h3-7,14H,8-13H2,1-2H3
InChIKeyQWDHUTJGFXMCOC-UHFFFAOYSA-N
XLogP2.40
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 90533621) is (7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is COc1cccc2cc(C(=O)N3CCN(CCn4ccnc4C)CC3)oc12.
What is the InChIKey of (7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is QWDHUTJGFXMCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15-21-6-7-23(15)11-8-22-9-12-24(13-10-22)20(25)18-14-16-4-3-5-17(26-2)19(16)27-18/h3-7,14H,8-13H2,1-2H3.
What are the key properties of (7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
(7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90533621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).