2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid

C21H22N2O5 — CID 70474479

IUPAC2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid
SMILESCOc1ccc(C(OCCOCc2ccccc2C(=O)O)n2ccnc2)cc1
InChIInChI=1S/C21H22N2O5/c1-26-18-8-6-16(7-9-18)20(23-11-10-22-15-23)28-13-12-27-14-17-4-2-3-5-19(17)21(24)25/h2-11,15,20H,12-14H2,1H3,(H,24,25)
InChIKeyLASGYAYQFCMPQH-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.37
Rot. Bonds10

About 2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid

2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid (PubChem CID 70474479) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid
PubChem CID70474479
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid
SMILESCOc1ccc(C(OCCOCc2ccccc2C(=O)O)n2ccnc2)cc1
InChIInChI=1S/C21H22N2O5/c1-26-18-8-6-16(7-9-18)20(23-11-10-22-15-23)28-13-12-27-14-17-4-2-3-5-19(17)21(24)25/h2-11,15,20H,12-14H2,1H3,(H,24,25)
InChIKeyLASGYAYQFCMPQH-UHFFFAOYSA-N
XLogP3.37
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid 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-imidazol-1-yl-1-[4-[(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 46957975
1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole
CID 57402760
N-(2-imidazol-1-yl-2-phenylethyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
CID 118712540
2-[(3-methoxy-3-methylbutoxy)methyl]benzoic acid
CID 106664742
3-[4-(butoxymethoxy)phenyl]-3-imidazol-1-ylpropanoic acid
CID 135232097
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid
CID 82559982
4-[imidazol-1-yl-(5-methoxy-1H-indol-3-yl)methyl]benzoic acid
CID 110453817
quinolin-7-yl 3-imidazol-1-yl-3-(4-methoxyphenyl)propanoate
CID 139543960
2-[6-[2-(dimethylamino)-1-imidazol-1-ylbutyl]-1,3-benzothiazol-2-yl]benzoic acid
CID 154063186
2-[3-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]amino]-3-oxopropyl]benzoic acid
CID 120552490
ethyl 4-[4-[imidazol-1-yl(phenyl)methyl]phenoxy]butanoate
CID 139612850
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758

Frequently Asked Questions

What is the IUPAC name of 2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid?
The IUPAC name of 2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid (CID 70474479) is 2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid.
What is the SMILES notation for 2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid?
The canonical SMILES for 2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid is COc1ccc(C(OCCOCc2ccccc2C(=O)O)n2ccnc2)cc1.
What is the InChIKey of 2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid?
The InChIKey is LASGYAYQFCMPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-26-18-8-6-16(7-9-18)20(23-11-10-22-15-23)28-13-12-27-14-17-4-2-3-5-19(17)21(24)25/h2-11,15,20H,12-14H2,1H3,(H,24,25).
What are the key properties of 2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid?
2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid has a molecular weight of 382.42 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[imidazol-1-yl-(4-methoxyphenyl)methoxy]ethoxymethyl]benzoic acid is sourced from PubChem (CID 70474479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).