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

C14H17N3O — CID 110474605

IUPACN-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nccn2C)cc1C
InChIInChI=1S/C14H17N3O/c1-10-4-5-12(8-11(10)2)16-14(18)9-13-15-6-7-17(13)3/h4-8H,9H2,1-3H3,(H,16,18)
InChIKeyWDBCSVPJZVHUPT-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.22
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide (PubChem CID 110474605) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide
PubChem CID110474605
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nccn2C)cc1C
InChIInChI=1S/C14H17N3O/c1-10-4-5-12(8-11(10)2)16-14(18)9-13-15-6-7-17(13)3/h4-8H,9H2,1-3H3,(H,16,18)
InChIKeyWDBCSVPJZVHUPT-UHFFFAOYSA-N
XLogP2.22
TPSA46.92 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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474626
N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474684
2-(1-methylimidazol-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 110474647
N-(3,4-dimethylphenyl)-2-pyridin-4-ylacetamide
CID 110697303
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
2-(1-methylimidazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110474589
2-methyl-4-[(1-methylimidazol-2-yl)methylcarbamoylamino]benzoic acid
CID 63294408
2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 8743954
N-(3,4-dimethylphenyl)-2-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
CID 3344559
2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110474600
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328
1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea
CID 118766238

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide (CID 110474605) is N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide is Cc1ccc(NC(=O)Cc2nccn2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide?
The InChIKey is WDBCSVPJZVHUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-5-12(8-11(10)2)16-14(18)9-13-15-6-7-17(13)3/h4-8H,9H2,1-3H3,(H,16,18).
What are the key properties of N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide has a molecular weight of 243.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide is sourced from PubChem (CID 110474605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).