[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate

C23H24N4O3 — CID 23999606

IUPAC[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
SMILESO=C(OCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C23H24N4O3/c28-21(27-14-12-26(13-15-27)16-18-4-2-1-3-5-18)17-30-23(29)20-8-6-19(7-9-20)22-24-10-11-25-22/h1-11H,12-17H2,(H,24,25)
InChIKeyBDBFUMRXMOTVKH-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.58
Rot. Bonds6

About [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate

[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate (PubChem CID 23999606) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate.

Molecular Properties

Compound Name[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
PubChem CID23999606
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
SMILESO=C(OCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C23H24N4O3/c28-21(27-14-12-26(13-15-27)16-18-4-2-1-3-5-18)17-30-23(29)20-8-6-19(7-9-20)22-24-10-11-25-22/h1-11H,12-17H2,(H,24,25)
InChIKeyBDBFUMRXMOTVKH-UHFFFAOYSA-N
XLogP2.58
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23887792
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 18158083
[2-(4-methylphenyl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23915920
[2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23999278
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55479799
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-phenylbenzoate
CID 27912347
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 55476319
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-phenylsulfanylacetate
CID 55479261
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4-phenylbenzoate
CID 2520536
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23827029
methyl 4-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 109002062
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-phenoxybutanoate
CID 55475075

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
The IUPAC name of [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate (CID 23999606) is [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate.
What is the SMILES notation for [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
The canonical SMILES for [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate is O=C(OCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
The InChIKey is BDBFUMRXMOTVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-21(27-14-12-26(13-15-27)16-18-4-2-1-3-5-18)17-30-23(29)20-8-6-19(7-9-20)22-24-10-11-25-22/h1-11H,12-17H2,(H,24,25).
What are the key properties of [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate has a molecular weight of 404.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate is sourced from PubChem (CID 23999606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).