1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

C18H21ClN4O2 — CID 45284243

IUPAC1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCCn1ccnc1N1CCN(C(=O)c2cc3ccccc3o2)CC1.Cl
InChIInChI=1S/C18H20N4O2.ClH/c1-2-20-8-7-19-18(20)22-11-9-21(10-12-22)17(23)16-13-14-5-3-4-6-15(14)24-16;/h3-8,13H,2,9-12H2,1H3;1H
InChIKeyDLIPEDYCCAWYLQ-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.03
Rot. Bonds3

About 1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 45284243) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
PubChem CID45284243
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCCn1ccnc1N1CCN(C(=O)c2cc3ccccc3o2)CC1.Cl
InChIInChI=1S/C18H20N4O2.ClH/c1-2-20-8-7-19-18(20)22-11-9-21(10-12-22)17(23)16-13-14-5-3-4-6-15(14)24-16;/h3-8,13H,2,9-12H2,1H3;1H
InChIKeyDLIPEDYCCAWYLQ-UHFFFAOYSA-N
XLogP3.03
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 25284842
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 25284874
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 45284224
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 25284890
1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2575317
1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335220
1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341571
1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32884666
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
1-benzofuran-2-yl-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7640327

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of 1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (CID 45284243) is 1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for 1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for 1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is CCn1ccnc1N1CCN(C(=O)c2cc3ccccc3o2)CC1.Cl.
What is the InChIKey of 1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is DLIPEDYCCAWYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2.ClH/c1-2-20-8-7-19-18(20)22-11-9-21(10-12-22)17(23)16-13-14-5-3-4-6-15(14)24-16;/h3-8,13H,2,9-12H2,1H3;1H.
What are the key properties of 1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 360.85 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 45284243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).