methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate

C30H32N2O4 — CID 10435449

IUPACmethyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate
SMILESCCOC(C)n1c(CCc2cccc(OCC(=O)OC)c2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H32N2O4/c1-4-35-22(2)32-27(19-18-23-12-11-17-26(20-23)36-21-28(33)34-3)31-29(24-13-7-5-8-14-24)30(32)25-15-9-6-10-16-25/h5-17,20,22H,4,18-19,21H2,1-3H3
InChIKeyVZRMHZZQDNDYMC-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.11
Rot. Bonds11

About methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate

methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate (PubChem CID 10435449) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate
PubChem CID10435449
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Namemethyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate
SMILESCCOC(C)n1c(CCc2cccc(OCC(=O)OC)c2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H32N2O4/c1-4-35-22(2)32-27(19-18-23-12-11-17-26(20-23)36-21-28(33)34-3)31-29(24-13-7-5-8-14-24)30(32)25-15-9-6-10-16-25/h5-17,20,22H,4,18-19,21H2,1-3H3
InChIKeyVZRMHZZQDNDYMC-UHFFFAOYSA-N
XLogP6.11
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]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-[3-[2-(3,4,5-triphenylpyrazol-1-yl)ethyl]phenoxy]acetate
CID 10435598
methyl 2-[3-[2-(methylamino)ethyl]phenoxy]acetate
CID 59419918
methyl 2-[3-[(3,5-diphenylphenyl)methoxy]phenoxy]acetate
CID 139707056
methyl 2-[3-[2-[4,5-bis(3-methylphenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate
CID 10003432
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
2-[3-[2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)ethyl]phenoxy]acetic acid
CID 10094040
methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63057754
methyl 2-[3-(4-oxobutyl)phenoxy]acetate
CID 21221318
methyl 2-[3-(2-aminobutyl)phenoxy]acetate
CID 54929271
methyl 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetate
CID 10478877
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate (CID 10435449) is methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate is CCOC(C)n1c(CCc2cccc(OCC(=O)OC)c2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate?
The InChIKey is VZRMHZZQDNDYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-4-35-22(2)32-27(19-18-23-12-11-17-26(20-23)36-21-28(33)34-3)31-29(24-13-7-5-8-14-24)30(32)25-15-9-6-10-16-25/h5-17,20,22H,4,18-19,21H2,1-3H3.
What are the key properties of methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate?
methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate has a molecular weight of 484.60 g/mol, XLogP of 6.11, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-[1-(1-ethoxyethyl)-4,5-diphenylimidazol-2-yl]ethyl]phenoxy]acetate is sourced from PubChem (CID 10435449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).