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

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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).