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

C18H23N3O3 — CID 82561053

IUPACmethyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1ccnc1CCN1CCOCC1
InChIInChI=1S/C18H23N3O3/c1-23-18(22)16-5-3-2-4-15(16)14-21-9-7-19-17(21)6-8-20-10-12-24-13-11-20/h2-5,7,9H,6,8,10-14H2,1H3
InChIKeyGOBDVDXSNDSYAT-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.59
Rot. Bonds6

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

methyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate (PubChem CID 82561053) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate
PubChem CID82561053
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Namemethyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1ccnc1CCN1CCOCC1
InChIInChI=1S/C18H23N3O3/c1-23-18(22)16-5-3-2-4-15(16)14-21-9-7-19-17(21)6-8-20-10-12-24-13-11-20/h2-5,7,9H,6,8,10-14H2,1H3
InChIKeyGOBDVDXSNDSYAT-UHFFFAOYSA-N
XLogP1.59
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate 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

2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzenecarbothioamide
CID 82558301
methyl 2-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzoate
CID 82560948
methyl 2-[[2-(pyridin-3-ylmethyl)imidazol-1-yl]methyl]benzoate
CID 82560938
2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid
CID 82560173
2-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]acetic acid
CID 69289077
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
CID 42819430
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42819426
4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine
CID 82558293
methyl 2-[[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]methyl]benzoate
CID 69024727
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
CID 131887032
CID 131887032
methyl 2-[[2-(3-bromophenyl)imidazol-1-yl]methyl]benzoate
CID 82561345

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate?
The IUPAC name of methyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate (CID 82561053) is methyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate is COC(=O)c1ccccc1Cn1ccnc1CCN1CCOCC1.
What is the InChIKey of methyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate?
The InChIKey is GOBDVDXSNDSYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-18(22)16-5-3-2-4-15(16)14-21-9-7-19-17(21)6-8-20-10-12-24-13-11-20/h2-5,7,9H,6,8,10-14H2,1H3.
What are the key properties of methyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate?
methyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate has a molecular weight of 329.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate is sourced from PubChem (CID 82561053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).