(E)-3-[4-[[4-(1-benzoylbenzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide

C28H27N5O3 — CID 50992239

IUPAC(E)-3-[4-[[4-(1-benzoylbenzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(CN2CCN(c3nc4ccccc4n3C(=O)c3ccccc3)CC2)cc1)NO
InChIInChI=1S/C28H27N5O3/c34-26(30-36)15-14-21-10-12-22(13-11-21)20-31-16-18-32(19-17-31)28-29-24-8-4-5-9-25(24)33(28)27(35)23-6-2-1-3-7-23/h1-15,36H,16-20H2,(H,30,34)/b15-14+
InChIKeyGBKOLLUFXWWPHQ-CCEZHUSRSA-N
MW481.56 g/mol
LogP3.57
Rot. Bonds6

About (E)-3-[4-[[4-(1-benzoylbenzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[[4-(1-benzoylbenzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 50992239) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is (E)-3-[4-[[4-(1-benzoylbenzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[4-(1-benzoylbenzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID50992239
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC Name(E)-3-[4-[[4-(1-benzoylbenzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(CN2CCN(c3nc4ccccc4n3C(=O)c3ccccc3)CC2)cc1)NO
InChIInChI=1S/C28H27N5O3/c34-26(30-36)15-14-21-10-12-22(13-11-21)20-31-16-18-32(19-17-31)28-29-24-8-4-5-9-25(24)33(28)27(35)23-6-2-1-3-7-23/h1-15,36H,16-20H2,(H,30,34)/b15-14+
InChIKeyGBKOLLUFXWWPHQ-CCEZHUSRSA-N
XLogP3.57
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[(E)-3-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 24756555
3-[4-[3-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 91415753
(E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]prop-1-enyl]phenyl]prop-2-enamide
CID 25207493
(E)-3-[3-[(E)-3-[4-(4-benzylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 25207656
1-[4-(1-phenacylbenzimidazol-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 3936300
(E)-3-[6-[(E)-3-[4-(4-benzylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 25205223
3-[6-[3-[4-(4-benzylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 74428358
(E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 122514187
(E)-N-hydroxy-3-[4-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]sulfanylmethyl]phenyl]prop-2-enamide
CID 177378852
(E)-3-(2-benzylindazol-5-yl)-N-hydroxyprop-2-enamide
CID 170647942
(E)-3-[4-[(E)-3-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 24756557
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide
CID 1128763

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[4-(1-benzoylbenzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[4-(1-benzoylbenzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide (CID 50992239) is (E)-3-[4-[[4-(1-benzoylbenzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[4-(1-benzoylbenzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[4-(1-benzoylbenzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(CN2CCN(c3nc4ccccc4n3C(=O)c3ccccc3)CC2)cc1)NO.
What is the InChIKey of (E)-3-[4-[[4-(1-benzoylbenzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is GBKOLLUFXWWPHQ-CCEZHUSRSA-N. The full InChI is InChI=1S/C28H27N5O3/c34-26(30-36)15-14-21-10-12-22(13-11-21)20-31-16-18-32(19-17-31)28-29-24-8-4-5-9-25(24)33(28)27(35)23-6-2-1-3-7-23/h1-15,36H,16-20H2,(H,30,34)/b15-14+.
What are the key properties of (E)-3-[4-[[4-(1-benzoylbenzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[4-(1-benzoylbenzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 481.56 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[4-(1-benzoylbenzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 50992239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).