methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate

C15H19N3O2 — CID 62223550

IUPACmethyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate
SMILESCCNCc1nccn1Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H19N3O2/c1-3-16-10-14-17-8-9-18(14)11-12-4-6-13(7-5-12)15(19)20-2/h4-9,16H,3,10-11H2,1-2H3
InChIKeyIWMNZMPMAWVOLB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.83
Rot. Bonds6

About methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate

methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate (PubChem CID 62223550) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate
PubChem CID62223550
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate
SMILESCCNCc1nccn1Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H19N3O2/c1-3-16-10-14-17-8-9-18(14)11-12-4-6-13(7-5-12)15(19)20-2/h4-9,16H,3,10-11H2,1-2H3
InChIKeyIWMNZMPMAWVOLB-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
methyl 4-[[2-(trichloromethyl)imidazol-1-yl]methyl]benzoate
CID 82561237
4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 55048804
methyl 4-[[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]methyl]benzoate
CID 82561071
methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate
CID 62221436
N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 42818947
methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate
CID 82561375
methyl 3-bromo-4-[(2-propylimidazol-1-yl)methyl]benzoate
CID 102766227
N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 102856727
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 24715628
N-[[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79701330
3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea
CID 42819635

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate (CID 62223550) is methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate is CCNCc1nccn1Cc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate?
The InChIKey is IWMNZMPMAWVOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-16-10-14-17-8-9-18(14)11-12-4-6-13(7-5-12)15(19)20-2/h4-9,16H,3,10-11H2,1-2H3.
What are the key properties of methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate?
methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate has a molecular weight of 273.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzoate is sourced from PubChem (CID 62223550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).