[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate

C23H19N3O4 — CID 9023683

IUPAC[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(/C=N\n3cnc4ccccc43)cc2OC)cc1
InChIInChI=1S/C23H19N3O4/c1-28-18-10-8-17(9-11-18)23(27)30-21-12-7-16(13-22(21)29-2)14-25-26-15-24-19-5-3-4-6-20(19)26/h3-15H,1-2H3/b25-14-
InChIKeyKFLRJVMLUGZSAG-QFEZKATASA-N
MW401.42 g/mol
LogP4.15
Rot. Bonds6

About [4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate

[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate (PubChem CID 9023683) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is [4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate
PubChem CID9023683
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(/C=N\n3cnc4ccccc43)cc2OC)cc1
InChIInChI=1S/C23H19N3O4/c1-28-18-10-8-17(9-11-18)23(27)30-21-12-7-16(13-22(21)29-2)14-25-26-15-24-19-5-3-4-6-20(19)26/h3-15H,1-2H3/b25-14-
InChIKeyKFLRJVMLUGZSAG-QFEZKATASA-N
XLogP4.15
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-fluorobenzoate
CID 9023689
methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate
CID 9023669
[2-methoxy-4-[(E)-(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] 4-methoxybenzoate
CID 6908774
[4-[(Z)-benzimidazol-1-yliminomethyl]-2,6-dimethoxyphenyl] acetate
CID 9023843
[4-[(benzhydrylidenehydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 5030022
[4-[(2,6-dimethylpiperidin-1-yl)iminomethyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 23800450
[2-methoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] 4-fluorobenzoate
CID 5134340
[2-methoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] 4-bromobenzoate
CID 126140783
[4-[(Z)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6114254
(Z)-N-(benzimidazol-1-yl)-1-naphthalen-2-ylmethanimine
CID 9023831
[2-methoxy-4-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6301184
[2-methoxy-4-(1,2,4-triazol-4-yliminomethyl)phenyl] pyridine-4-carboxylate
CID 881723

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate?
The IUPAC name of [4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate (CID 9023683) is [4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate?
The canonical SMILES for [4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(/C=N\n3cnc4ccccc43)cc2OC)cc1.
What is the InChIKey of [4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate?
The InChIKey is KFLRJVMLUGZSAG-QFEZKATASA-N. The full InChI is InChI=1S/C23H19N3O4/c1-28-18-10-8-17(9-11-18)23(27)30-21-12-7-16(13-22(21)29-2)14-25-26-15-24-19-5-3-4-6-20(19)26/h3-15H,1-2H3/b25-14-.
What are the key properties of [4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate?
[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate has a molecular weight of 401.42 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenyl] 4-methoxybenzoate is sourced from PubChem (CID 9023683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).