2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide

C14H17N3O — CID 139606181

IUPAC2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide
SMILESCc1ccc(-c2cn(C)c(CC(N)=O)n2)cc1C
InChIInChI=1S/C14H17N3O/c1-9-4-5-11(6-10(9)2)12-8-17(3)14(16-12)7-13(15)18/h4-6,8H,7H2,1-3H3,(H2,15,18)
InChIKeyWSGXXFJIHJXQLA-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.73
Rot. Bonds3

About 2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide

2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide (PubChem CID 139606181) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide
PubChem CID139606181
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide
SMILESCc1ccc(-c2cn(C)c(CC(N)=O)n2)cc1C
InChIInChI=1S/C14H17N3O/c1-9-4-5-11(6-10(9)2)12-8-17(3)14(16-12)7-13(15)18/h4-6,8H,7H2,1-3H3,(H2,15,18)
InChIKeyWSGXXFJIHJXQLA-UHFFFAOYSA-N
XLogP1.73
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,4-dimethylphenyl)-2-methylimidazol-1-yl]ethanamine
CID 82288563
4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide
CID 19375996
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021873
2-[2-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589864
4-chloro-N-[2-[4-(4-iodophenyl)-1-methylimidazol-2-yl]ethyl]butanamide
CID 69184026
6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200580
ethyl 2-(2-amino-2-oxoethyl)-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carboxylate
CID 100785607
2-[[2-(3,4-dimethylphenyl)phenyl]methylamino]acetamide
CID 19105302
3-(3,4-dimethylphenyl)-1-methylpyrazole-4-carbothioamide
CID 39096372
methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224554
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19716324
ethane;ethyl 4-(4-bromophenyl)-1-methylimidazole-2-carboxylate
CID 143461220

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide?
The IUPAC name of 2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide (CID 139606181) is 2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide is Cc1ccc(-c2cn(C)c(CC(N)=O)n2)cc1C.
What is the InChIKey of 2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide?
The InChIKey is WSGXXFJIHJXQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-4-5-11(6-10(9)2)12-8-17(3)14(16-12)7-13(15)18/h4-6,8H,7H2,1-3H3,(H2,15,18).
What are the key properties of 2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide?
2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide has a molecular weight of 243.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]acetamide is sourced from PubChem (CID 139606181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).