methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate

C15H19N3O2 — CID 62738094

IUPACmethyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate
SMILESCCn1ccnc1CN(C)c1ccccc1C(=O)OC
InChIInChI=1S/C15H19N3O2/c1-4-18-10-9-16-14(18)11-17(2)13-8-6-5-7-12(13)15(19)20-3/h5-10H,4,11H2,1-3H3
InChIKeyAIFLLIDIAKDHLH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.33
Rot. Bonds5

About methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate

methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate (PubChem CID 62738094) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate
PubChem CID62738094
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate
SMILESCCn1ccnc1CN(C)c1ccccc1C(=O)OC
InChIInChI=1S/C15H19N3O2/c1-4-18-10-9-16-14(18)11-17(2)13-8-6-5-7-12(13)15(19)20-3/h5-10H,4,11H2,1-3H3
InChIKeyAIFLLIDIAKDHLH-UHFFFAOYSA-N
XLogP2.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(aminomethyl)-4-pyridinyl]methyl-methylamino]benzoate
CID 63888273
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]benzoate
CID 114933153
methyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate
CID 102878528
methyl 2-[methyl(2-oxopropyl)amino]benzoate
CID 117029506
methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate
CID 60694372
2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 62351342
methyl 2-[2-hydroxybutyl(methyl)amino]benzoate
CID 62028637
methyl 2-[(4-chloro-3-fluorophenyl)methyl-methylamino]benzoate
CID 107885982
methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate
CID 82560948
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate
CID 63469902
N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 154879514

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate?
The IUPAC name of methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate (CID 62738094) is methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate.
What is the SMILES notation for methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate?
The canonical SMILES for methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate is CCn1ccnc1CN(C)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate?
The InChIKey is AIFLLIDIAKDHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-18-10-9-16-14(18)11-17(2)13-8-6-5-7-12(13)15(19)20-3/h5-10H,4,11H2,1-3H3.
What are the key properties of methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate?
methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate has a molecular weight of 273.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylimidazol-2-yl)methyl-methylamino]benzoate is sourced from PubChem (CID 62738094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).