N-[[1-(2,4-dimethylphenyl)cyclopropyl]methyl]-2-(1H-imidazol-2-yl)acetamide

C17H21N3O — CID 138035738

IUPACN-[[1-(2,4-dimethylphenyl)cyclopropyl]methyl]-2-(1H-imidazol-2-yl)acetamide
SMILESCc1ccc(C2(CNC(=O)Cc3ncc[nH]3)CC2)c(C)c1
InChIInChI=1S/C17H21N3O/c1-12-3-4-14(13(2)9-12)17(5-6-17)11-20-16(21)10-15-18-7-8-19-15/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyBQAZZAPVELXBEY-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.42
Rot. Bonds5

About N-[[1-(2,4-dimethylphenyl)cyclopropyl]methyl]-2-(1H-imidazol-2-yl)acetamide

N-[[1-(2,4-dimethylphenyl)cyclopropyl]methyl]-2-(1H-imidazol-2-yl)acetamide (PubChem CID 138035738) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[1-(2,4-dimethylphenyl)cyclopropyl]methyl]-2-(1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(2,4-dimethylphenyl)cyclopropyl]methyl]-2-(1H-imidazol-2-yl)acetamide
PubChem CID138035738
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[1-(2,4-dimethylphenyl)cyclopropyl]methyl]-2-(1H-imidazol-2-yl)acetamide
SMILESCc1ccc(C2(CNC(=O)Cc3ncc[nH]3)CC2)c(C)c1
InChIInChI=1S/C17H21N3O/c1-12-3-4-14(13(2)9-12)17(5-6-17)11-20-16(21)10-15-18-7-8-19-15/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyBQAZZAPVELXBEY-UHFFFAOYSA-N
XLogP2.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dimethylphenyl)cyclopropyl]methyl]-2-(1H-imidazol-2-yl)acetamide?
The IUPAC name of N-[[1-(2,4-dimethylphenyl)cyclopropyl]methyl]-2-(1H-imidazol-2-yl)acetamide (CID 138035738) is N-[[1-(2,4-dimethylphenyl)cyclopropyl]methyl]-2-(1H-imidazol-2-yl)acetamide.
What is the SMILES notation for N-[[1-(2,4-dimethylphenyl)cyclopropyl]methyl]-2-(1H-imidazol-2-yl)acetamide?
The canonical SMILES for N-[[1-(2,4-dimethylphenyl)cyclopropyl]methyl]-2-(1H-imidazol-2-yl)acetamide is Cc1ccc(C2(CNC(=O)Cc3ncc[nH]3)CC2)c(C)c1.
What is the InChIKey of N-[[1-(2,4-dimethylphenyl)cyclopropyl]methyl]-2-(1H-imidazol-2-yl)acetamide?
The InChIKey is BQAZZAPVELXBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-3-4-14(13(2)9-12)17(5-6-17)11-20-16(21)10-15-18-7-8-19-15/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-[[1-(2,4-dimethylphenyl)cyclopropyl]methyl]-2-(1H-imidazol-2-yl)acetamide?
N-[[1-(2,4-dimethylphenyl)cyclopropyl]methyl]-2-(1H-imidazol-2-yl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dimethylphenyl)cyclopropyl]methyl]-2-(1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 138035738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).