2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide

C26H25N5O2 — CID 108504765

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H25N5O2/c32-25(29-21-11-12-22-23(17-21)28-18-27-22)26(33)31-15-13-30(14-16-31)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,24H,13-16H2,(H,27,28)(H,29,32)
InChIKeyCQUMDVBMIHPYFU-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.44
Rot. Bonds4

About 2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide

2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide (PubChem CID 108504765) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide
PubChem CID108504765
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H25N5O2/c32-25(29-21-11-12-22-23(17-21)28-18-27-22)26(33)31-15-13-30(14-16-31)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,24H,13-16H2,(H,27,28)(H,29,32)
InChIKeyCQUMDVBMIHPYFU-UHFFFAOYSA-N
XLogP3.44
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide
CID 108885798
N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521097
2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide
CID 108521221
N-(3H-benzimidazol-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108525602
N-(3H-benzimidazol-5-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108529250
2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
CID 44901949
2-(4-benzhydrylpiperazin-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide
CID 44902793
[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl] 3H-benzimidazole-5-carboxylate
CID 23744555
2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)-2-oxoacetamide
CID 108504732
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
2-(4-benzhydrylpiperazin-1-yl)-N-(2,5-difluorophenyl)-2-oxoacetamide
CID 44902244

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide (CID 108504765) is 2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide is O=C(Nc1ccc2nc[nH]c2c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide?
The InChIKey is CQUMDVBMIHPYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c32-25(29-21-11-12-22-23(17-21)28-18-27-22)26(33)31-15-13-30(14-16-31)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,24H,13-16H2,(H,27,28)(H,29,32).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide?
2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide has a molecular weight of 439.52 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide is sourced from PubChem (CID 108504765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).