2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide

C18H25N5O — CID 120869804

IUPAC2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CN1CCNCC1c1nccn1C
InChIInChI=1S/C18H25N5O/c1-14-5-3-4-6-15(14)11-21-17(24)13-23-10-7-19-12-16(23)18-20-8-9-22(18)2/h3-6,8-9,16,19H,7,10-13H2,1-2H3,(H,21,24)
InChIKeyGJICVKKQSLJDOU-UHFFFAOYSA-N
MW327.43 g/mol
LogP0.99
Rot. Bonds5

About 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 120869804) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID120869804
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CN1CCNCC1c1nccn1C
InChIInChI=1S/C18H25N5O/c1-14-5-3-4-6-15(14)11-21-17(24)13-23-10-7-19-12-16(23)18-20-8-9-22(18)2/h3-6,8-9,16,19H,7,10-13H2,1-2H3,(H,21,24)
InChIKeyGJICVKKQSLJDOU-UHFFFAOYSA-N
XLogP0.99
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 120870997
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
CID 120870543
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870414
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
N-(2,3-dimethylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869970
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
CID 120870905
N-[(4-methoxyphenyl)methyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871315
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869984
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870242
N-[2-(2,3-dichlorophenyl)ethyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870091
N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide (CID 120869804) is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)CN1CCNCC1c1nccn1C.
What is the InChIKey of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is GJICVKKQSLJDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-5-3-4-6-15(14)11-21-17(24)13-23-10-7-19-12-16(23)18-20-8-9-22(18)2/h3-6,8-9,16,19H,7,10-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 120869804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).