methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate

C24H21N3O4 — CID 9023669

IUPACmethyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(/C=N\n3cnc4ccccc43)cc2OC)cc1
InChIInChI=1S/C24H21N3O4/c1-29-23-13-18(14-26-27-16-25-20-5-3-4-6-21(20)27)9-12-22(23)31-15-17-7-10-19(11-8-17)24(28)30-2/h3-14,16H,15H2,1-2H3/b26-14-
InChIKeyGNJZFXPUPOUXMX-WGARJPEWSA-N
MW415.45 g/mol
LogP4.29
Rot. Bonds7

About methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate

methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate (PubChem CID 9023669) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate
PubChem CID9023669
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Namemethyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(/C=N\n3cnc4ccccc43)cc2OC)cc1
InChIInChI=1S/C24H21N3O4/c1-29-23-13-18(14-26-27-16-25-20-5-3-4-6-21(20)27)9-12-22(23)31-15-17-7-10-19(11-8-17)24(28)30-2/h3-14,16H,15H2,1-2H3/b26-14-
InChIKeyGNJZFXPUPOUXMX-WGARJPEWSA-N
XLogP4.29
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate with MolForge

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Related Compounds

[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 9023683
[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 9023689
methyl 4-[[2-methoxy-4-[(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenoxy]methyl]benzoate
CID 23733595
[4-[(Z)-benzimidazol-1-yliminomethyl]-2,6-dimethoxyphenyl] acetate
CID 9023843
methyl 4-[[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenoxy]methyl]benzoate
CID 6187294
methyl 4-[[4-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoate
CID 9175476
methyl 4-[[2-methoxy-4-[(Z)-(1H-pyrrole-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 9025984
methyl 4-[[4-(2-cyano-2-pyridin-2-ylethenyl)-2-methoxyphenoxy]methyl]benzoate
CID 4875020
4-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 895574
methyl 4-[[2-methoxy-4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 6904476
3-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 5209778
2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 9023964

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate?
The IUPAC name of methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate (CID 9023669) is methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate is COC(=O)c1ccc(COc2ccc(/C=N\n3cnc4ccccc43)cc2OC)cc1.
What is the InChIKey of methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate?
The InChIKey is GNJZFXPUPOUXMX-WGARJPEWSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-29-23-13-18(14-26-27-16-25-20-5-3-4-6-21(20)27)9-12-22(23)31-15-17-7-10-19(11-8-17)24(28)30-2/h3-14,16H,15H2,1-2H3/b26-14-.
What are the key properties of methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate?
methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate has a molecular weight of 415.45 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate is sourced from PubChem (CID 9023669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).