2-methyl-5-(4-methylimidazol-1-yl)benzamide

C12H13N3O — CID 68604922

IUPAC2-methyl-5-(4-methylimidazol-1-yl)benzamide
SMILESCc1cn(-c2ccc(C)c(C(N)=O)c2)cn1
InChIInChI=1S/C12H13N3O/c1-8-3-4-10(5-11(8)12(13)16)15-6-9(2)14-7-15/h3-7H,1-2H3,(H2,13,16)
InChIKeyXVQWHSVWZRTFGD-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.59
Rot. Bonds2

About 2-methyl-5-(4-methylimidazol-1-yl)benzamide

2-methyl-5-(4-methylimidazol-1-yl)benzamide (PubChem CID 68604922) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-methyl-5-(4-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound Name2-methyl-5-(4-methylimidazol-1-yl)benzamide
PubChem CID68604922
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-methyl-5-(4-methylimidazol-1-yl)benzamide
SMILESCc1cn(-c2ccc(C)c(C(N)=O)c2)cn1
InChIInChI=1S/C12H13N3O/c1-8-3-4-10(5-11(8)12(13)16)15-6-9(2)14-7-15/h3-7H,1-2H3,(H2,13,16)
InChIKeyXVQWHSVWZRTFGD-UHFFFAOYSA-N
XLogP1.59
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(1,2,4-triazol-4-yl)benzamide
CID 68605701
2-methyl-5-pyrazol-1-ylbenzamide
CID 68604626
3-(4-methylimidazol-1-yl)benzoic acid
CID 82512349
2-hydroxy-4-(4-methylimidazol-1-yl)benzaldehyde
CID 141153861
2-methyl-5-(1,2,4-triazol-4-yl)benzoic acid
CID 63652848
1-(3,4-dimethylphenyl)imidazole-4-carboxylic acid
CID 23444996
methyl 3-(4-methylimidazol-1-yl)benzoate
CID 22224935
2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide
CID 122590890
4-imidazol-1-yl-2-methylbenzamide
CID 81276047
2-methyl-5-(2-methyl-4-pyridinyl)benzamide
CID 68606460
2-[1-(3,4-dimethylphenyl)imidazol-4-yl]acetic acid
CID 82474315
ethyl 1-(3-fluoro-4-methylphenyl)imidazole-4-carboxylate
CID 114203638

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylimidazol-1-yl)benzamide?
The IUPAC name of 2-methyl-5-(4-methylimidazol-1-yl)benzamide (CID 68604922) is 2-methyl-5-(4-methylimidazol-1-yl)benzamide.
What is the SMILES notation for 2-methyl-5-(4-methylimidazol-1-yl)benzamide?
The canonical SMILES for 2-methyl-5-(4-methylimidazol-1-yl)benzamide is Cc1cn(-c2ccc(C)c(C(N)=O)c2)cn1.
What is the InChIKey of 2-methyl-5-(4-methylimidazol-1-yl)benzamide?
The InChIKey is XVQWHSVWZRTFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-3-4-10(5-11(8)12(13)16)15-6-9(2)14-7-15/h3-7H,1-2H3,(H2,13,16).
What are the key properties of 2-methyl-5-(4-methylimidazol-1-yl)benzamide?
2-methyl-5-(4-methylimidazol-1-yl)benzamide has a molecular weight of 215.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 68604922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).