N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide

C12H13N3O2 — CID 47215494

IUPACN-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C12H13N3O2/c1-17-8-12(16)14-10-3-2-4-11(7-10)15-6-5-13-9-15/h2-7,9H,8H2,1H3,(H,14,16)
InChIKeyACBDSAXZOXUIPR-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.46
Rot. Bonds4

About N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide

N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide (PubChem CID 47215494) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
PubChem CID47215494
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C12H13N3O2/c1-17-8-12(16)14-10-3-2-4-11(7-10)15-6-5-13-9-15/h2-7,9H,8H2,1H3,(H,14,16)
InChIKeyACBDSAXZOXUIPR-UHFFFAOYSA-N
XLogP1.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-imidazol-1-ylphenyl)-3-methoxypropanamide
CID 81083217
N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide
CID 81257160
3-(ethylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 55121130
5-chloro-N-(3-imidazol-1-ylphenyl)pentanamide
CID 43697127
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-imidazol-1-ylphenyl)acetamide
CID 51118112
6-acetamido-N-(3-imidazol-1-ylphenyl)hexanamide
CID 47062510
3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 60866705
2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide
CID 43701216
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374
2-amino-N-(3-imidazol-1-ylphenyl)hexanamide
CID 60853484
N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119857085
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide?
The IUPAC name of N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide (CID 47215494) is N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide?
The canonical SMILES for N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide is COCC(=O)Nc1cccc(-n2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide?
The InChIKey is ACBDSAXZOXUIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-8-12(16)14-10-3-2-4-11(7-10)15-6-5-13-9-15/h2-7,9H,8H2,1H3,(H,14,16).
What are the key properties of N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide?
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide has a molecular weight of 231.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide is sourced from PubChem (CID 47215494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).