N-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide

C23H27N5O2 — CID 135269671

IUPACN-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide
SMILESC[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CCN1Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C23H27N5O2/c1-18-14-26(15-19-4-8-22(9-5-19)28-11-10-24-17-28)12-13-27(18)16-20-2-6-21(7-3-20)23(29)25-30/h2-11,17-18,30H,12-16H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyNKDXKAFAPZKWHP-GOSISDBHSA-N
MW405.50 g/mol
LogP2.70
Rot. Bonds6

About N-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide

N-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide (PubChem CID 135269671) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide
PubChem CID135269671
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide
SMILESC[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CCN1Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C23H27N5O2/c1-18-14-26(15-19-4-8-22(9-5-19)28-11-10-24-17-28)12-13-27(18)16-20-2-6-21(7-3-20)23(29)25-30/h2-11,17-18,30H,12-16H2,1H3,(H,25,29)/t18-/m1/s1
InChIKeyNKDXKAFAPZKWHP-GOSISDBHSA-N
XLogP2.70
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98768736
4-[[(3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118374041
N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92680753
(3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine
CID 103885713
1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine
CID 63874840
4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269624
4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide
CID 135269533
[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 75402169
[4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol
CID 75517917
4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
CID 138041303
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]benzoic acid
CID 63609405
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide (CID 135269671) is N-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide is C[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CCN1Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide?
The InChIKey is NKDXKAFAPZKWHP-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-18-14-26(15-19-4-8-22(9-5-19)28-11-10-24-17-28)12-13-27(18)16-20-2-6-21(7-3-20)23(29)25-30/h2-11,17-18,30H,12-16H2,1H3,(H,25,29)/t18-/m1/s1.
What are the key properties of N-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide?
N-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 135269671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).