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

C17H18N4O2 — CID 25284842

IUPAC1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCn1ccnc1N1CCN(C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C17H18N4O2/c1-19-7-6-18-17(19)21-10-8-20(9-11-21)16(22)15-12-13-4-2-3-5-14(13)23-15/h2-7,12H,8-11H2,1H3
InChIKeyPIPDMCRVPKEYMG-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.13
Rot. Bonds2

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

1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 25284842) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID25284842
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCn1ccnc1N1CCN(C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C17H18N4O2/c1-19-7-6-18-17(19)21-10-8-20(9-11-21)16(22)15-12-13-4-2-3-5-14(13)23-15/h2-7,12H,8-11H2,1H3
InChIKeyPIPDMCRVPKEYMG-UHFFFAOYSA-N
XLogP2.13
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzofuran-2-yl-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 45284243
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 166230750
1-benzofuran-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341571
1-benzofuran-2-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2575317
(5-methyl-1-benzofuran-2-yl)-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]methanone
CID 46972171
1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335220
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32884666
1-benzofuran-2-yl-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7640327
1-benzofuran-2-yl-[4-(7H-purin-6-yl)piperazin-1-yl]methanone
CID 42535118
[4-[(dimethylamino)methyl]phenyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 71990960

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 25284842) is 1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is Cn1ccnc1N1CCN(C(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is PIPDMCRVPKEYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-19-7-6-18-17(19)21-10-8-20(9-11-21)16(22)15-12-13-4-2-3-5-14(13)23-15/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 310.36 g/mol, XLogP of 2.13, 2 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-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 25284842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).