2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C16H21N5O — CID 110684204

IUPAC2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3cnc[nH]3)cc2)CC1
InChIInChI=1S/C16H21N5O/c1-20-6-8-21(9-7-20)15-4-2-13(3-5-15)19-16(22)10-14-11-17-12-18-14/h2-5,11-12H,6-10H2,1H3,(H,17,18)(H,19,22)
InChIKeyVHTMDECLHJBCEU-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.34
Rot. Bonds4

About 2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 110684204) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID110684204
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3cnc[nH]3)cc2)CC1
InChIInChI=1S/C16H21N5O/c1-20-6-8-21(9-7-20)15-4-2-13(3-5-15)19-16(22)10-14-11-17-12-18-14/h2-5,11-12H,6-10H2,1H3,(H,17,18)(H,19,22)
InChIKeyVHTMDECLHJBCEU-UHFFFAOYSA-N
XLogP1.34
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 110700131
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
2-(4-methyl-1,3-oxazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 110679949
2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857739
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999704
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 78807074
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 22692234
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690935

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 110684204) is 2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CN1CCN(c2ccc(NC(=O)Cc3cnc[nH]3)cc2)CC1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is VHTMDECLHJBCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20-6-8-21(9-7-20)15-4-2-13(3-5-15)19-16(22)10-14-11-17-12-18-14/h2-5,11-12H,6-10H2,1H3,(H,17,18)(H,19,22).
What are the key properties of 2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 299.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 110684204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).