N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide

C13H15N3O — CID 43907556

IUPACN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C13H15N3O/c1-10-14-7-8-16(10)13-5-3-12(4-6-13)9-15-11(2)17/h3-8H,9H2,1-2H3,(H,15,17)
InChIKeyQQLXLONMHHGZIG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.82
Rot. Bonds3

About N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide

N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide (PubChem CID 43907556) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
PubChem CID43907556
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C13H15N3O/c1-10-14-7-8-16(10)13-5-3-12(4-6-13)9-15-11(2)17/h3-8H,9H2,1-2H3,(H,15,17)
InChIKeyQQLXLONMHHGZIG-UHFFFAOYSA-N
XLogP1.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide
CID 53159097
2-acetamido-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]acetamide
CID 71857227
3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 100589500
2-(2-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 100632169
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 53159101
2-(3,5-dimethylphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92682720
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 56863738
(2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92650949
3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92679900
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92680069
5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide
CID 91795041

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide (CID 43907556) is N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(-n2ccnc2C)cc1.
What is the InChIKey of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is QQLXLONMHHGZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-14-7-8-16(10)13-5-3-12(4-6-13)9-15-11(2)17/h3-8H,9H2,1-2H3,(H,15,17).
What are the key properties of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 229.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 43907556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).