N-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide

C12H13N3O2 — CID 69191671

IUPACN-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccccc1-c1cnc[nH]1
InChIInChI=1S/C12H13N3O2/c1-17-7-12(16)15-10-5-3-2-4-9(10)11-6-13-8-14-11/h2-6,8H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyCLPHAGKBJSPYPI-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.66
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide

N-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide (PubChem CID 69191671) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide
PubChem CID69191671
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccccc1-c1cnc[nH]1
InChIInChI=1S/C12H13N3O2/c1-17-7-12(16)15-10-5-3-2-4-9(10)11-6-13-8-14-11/h2-6,8H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyCLPHAGKBJSPYPI-UHFFFAOYSA-N
XLogP1.66
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 30337604
N-[4-(1H-imidazol-5-yl)phenyl]-2-(2-methylphenoxy)acetamide
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2-(1H-imidazol-5-yl)-N-(2-methylphenyl)acetamide
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N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methoxyacetamide
CID 24697766
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-methoxyacetyl)amino]benzamide
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N-(5-chloro-1H-pyrazol-4-yl)-2-methoxyacetamide
CID 130905185
N-[2-(diethylaminomethyl)phenyl]-2-methoxyacetamide
CID 60794575
2-methoxy-N-[2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]acetamide
CID 95208495
N-(2-tert-butylphenyl)-2-(1H-imidazol-5-yl)acetamide
CID 110684157
2-(1H-imidazol-5-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 110684152
2-[3-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-N-methylacetamide
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CID 62999446

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide (CID 69191671) is N-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccccc1-c1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide?
The InChIKey is CLPHAGKBJSPYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-7-12(16)15-10-5-3-2-4-9(10)11-6-13-8-14-11/h2-6,8H,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of N-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide?
N-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide has a molecular weight of 231.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)phenyl]-2-methoxyacetamide is sourced from PubChem (CID 69191671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).