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

C17H23N5O — CID 120870657

IUPAC2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCNCC1c1nccn1C
InChIInChI=1S/C17H23N5O/c1-13-5-3-4-6-14(13)20-16(23)12-22-10-7-18-11-15(22)17-19-8-9-21(17)2/h3-6,8-9,15,18H,7,10-12H2,1-2H3,(H,20,23)
InChIKeyCHGXWSLQTQOYMT-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.31
Rot. Bonds4

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

2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 120870657) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID120870657
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCNCC1c1nccn1C
InChIInChI=1S/C17H23N5O/c1-13-5-3-4-6-14(13)20-16(23)12-22-10-7-18-11-15(22)17-19-8-9-21(17)2/h3-6,8-9,15,18H,7,10-12H2,1-2H3,(H,20,23)
InChIKeyCHGXWSLQTQOYMT-UHFFFAOYSA-N
XLogP1.31
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869970
N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871124
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 120870399
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 120869804
N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870414
N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871328
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 120871180
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
N-(5-chloro-2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871158
N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871305
N-(5-bromo-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869936

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide (CID 120870657) is 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1CCNCC1c1nccn1C.
What is the InChIKey of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is CHGXWSLQTQOYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-5-3-4-6-14(13)20-16(23)12-22-10-7-18-11-15(22)17-19-8-9-21(17)2/h3-6,8-9,15,18H,7,10-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide?
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 1.31, 4 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)acetamide is sourced from PubChem (CID 120870657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).