N-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide

C14H18N4O — CID 50978697

IUPACN-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN(C)Cc2ncc[nH]2)cc1
InChIInChI=1S/C14H18N4O/c1-11(19)17-13-5-3-12(4-6-13)9-18(2)10-14-15-7-8-16-14/h3-8H,9-10H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyALHZILNWEBEJGF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.00
Rot. Bonds5

About N-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide

N-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide (PubChem CID 50978697) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide
PubChem CID50978697
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN(C)Cc2ncc[nH]2)cc1
InChIInChI=1S/C14H18N4O/c1-11(19)17-13-5-3-12(4-6-13)9-18(2)10-14-15-7-8-16-14/h3-8H,9-10H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyALHZILNWEBEJGF-UHFFFAOYSA-N
XLogP2.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide (CID 50978697) is N-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN(C)Cc2ncc[nH]2)cc1.
What is the InChIKey of N-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide?
The InChIKey is ALHZILNWEBEJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11(19)17-13-5-3-12(4-6-13)9-18(2)10-14-15-7-8-16-14/h3-8H,9-10H2,1-2H3,(H,15,16)(H,17,19).
What are the key properties of N-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide?
N-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1H-imidazol-2-ylmethyl(methyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 50978697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).