4-imidazol-1-yl-2-methylbenzamide

C11H11N3O — CID 81276047

IUPAC4-imidazol-1-yl-2-methylbenzamide
SMILESCc1cc(-n2ccnc2)ccc1C(N)=O
InChIInChI=1S/C11H11N3O/c1-8-6-9(14-5-4-13-7-14)2-3-10(8)11(12)15/h2-7H,1H3,(H2,12,15)
InChIKeyYAAFARGASWXTRF-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.28
Rot. Bonds2

About 4-imidazol-1-yl-2-methylbenzamide

4-imidazol-1-yl-2-methylbenzamide (PubChem CID 81276047) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-methylbenzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-2-methylbenzamide
PubChem CID81276047
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-imidazol-1-yl-2-methylbenzamide
SMILESCc1cc(-n2ccnc2)ccc1C(N)=O
InChIInChI=1S/C11H11N3O/c1-8-6-9(14-5-4-13-7-14)2-3-10(8)11(12)15/h2-7H,1H3,(H2,12,15)
InChIKeyYAAFARGASWXTRF-UHFFFAOYSA-N
XLogP1.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-imidazol-1-yl-2-methoxybenzamide
CID 59564308
4-imidazol-1-yl-2-methylaniline
CID 14450260
5-imidazol-1-yl-2-nitrobenzamide
CID 19709767
methyl 2-bromo-4-imidazol-1-ylbenzoate
CID 131555290
4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide
CID 145137268
1-(3-fluoro-4-methylphenyl)imidazole
CID 18758587
N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 176577918
methyl 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetate
CID 117335977
4-imidazol-1-yl-2-methyl-N-(1-oxo-2,3-dihydroinden-4-yl)benzamide
CID 167847611
2-methyl-5-(1,2,4-triazol-4-yl)benzamide
CID 68605701
3-(4-imidazol-1-ylphenoxy)-2-propylbenzamide
CID 67599560
(4-imidazol-1-ylphenyl) acetate
CID 594823

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-methylbenzamide?
The IUPAC name of 4-imidazol-1-yl-2-methylbenzamide (CID 81276047) is 4-imidazol-1-yl-2-methylbenzamide.
What is the SMILES notation for 4-imidazol-1-yl-2-methylbenzamide?
The canonical SMILES for 4-imidazol-1-yl-2-methylbenzamide is Cc1cc(-n2ccnc2)ccc1C(N)=O.
What is the InChIKey of 4-imidazol-1-yl-2-methylbenzamide?
The InChIKey is YAAFARGASWXTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-6-9(14-5-4-13-7-14)2-3-10(8)11(12)15/h2-7H,1H3,(H2,12,15).
What are the key properties of 4-imidazol-1-yl-2-methylbenzamide?
4-imidazol-1-yl-2-methylbenzamide has a molecular weight of 201.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-methylbenzamide is sourced from PubChem (CID 81276047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).