methyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate

C15H19N3O2 — CID 106718494

IUPACmethyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate
SMILESCNCc1cn(Cc2ccccc2CC(=O)OC)cn1
InChIInChI=1S/C15H19N3O2/c1-16-8-14-10-18(11-17-14)9-13-6-4-3-5-12(13)7-15(19)20-2/h3-6,10-11,16H,7-9H2,1-2H3
InChIKeySNDYMQLPBNGTRM-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.37
Rot. Bonds6

About methyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate

methyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate (PubChem CID 106718494) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate
PubChem CID106718494
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate
SMILESCNCc1cn(Cc2ccccc2CC(=O)OC)cn1
InChIInChI=1S/C15H19N3O2/c1-16-8-14-10-18(11-17-14)9-13-6-4-3-5-12(13)7-15(19)20-2/h3-6,10-11,16H,7-9H2,1-2H3
InChIKeySNDYMQLPBNGTRM-UHFFFAOYSA-N
XLogP1.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate 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

methyl 2-[2-[(4-formylimidazol-1-yl)methyl]phenyl]acetate
CID 106716658
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 83894862
methyl 2-[2-[[3-[1-(methylamino)ethyl]pyrrol-1-yl]methyl]phenyl]acetate
CID 115463201
2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 106720568
N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 83886789
methyl 2-[2-[(3-amino-5-bromo-4-oxo-1-pyridinyl)methyl]phenyl]acetate
CID 103961879
methyl 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]acetate
CID 115462844
1-[1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718477
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]-3H-quinazolin-4-one
CID 136870728
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 119718202

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate (CID 106718494) is methyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate is CNCc1cn(Cc2ccccc2CC(=O)OC)cn1.
What is the InChIKey of methyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate?
The InChIKey is SNDYMQLPBNGTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-16-8-14-10-18(11-17-14)9-13-6-4-3-5-12(13)7-15(19)20-2/h3-6,10-11,16H,7-9H2,1-2H3.
What are the key properties of methyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate?
methyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate has a molecular weight of 273.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate is sourced from PubChem (CID 106718494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).