[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate

C19H19N3O4 — CID 4521869

IUPAC[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(/C=N/c2ccc3c(c2)n(C)c(=O)n3C)ccc1OC(C)=O
InChIInChI=1S/C19H19N3O4/c1-12(23)26-17-8-5-13(9-18(17)25-4)11-20-14-6-7-15-16(10-14)22(3)19(24)21(15)2/h5-11H,1-4H3/b20-11+
InChIKeyZXUCIQYWBHIIME-RGVLZGJSSA-N
MW353.38 g/mol
LogP2.56
Rot. Bonds4

About [4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate

[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate (PubChem CID 4521869) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is [4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate
PubChem CID4521869
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(/C=N/c2ccc3c(c2)n(C)c(=O)n3C)ccc1OC(C)=O
InChIInChI=1S/C19H19N3O4/c1-12(23)26-17-8-5-13(9-18(17)25-4)11-20-14-6-7-15-16(10-14)22(3)19(24)21(15)2/h5-11H,1-4H3/b20-11+
InChIKeyZXUCIQYWBHIIME-RGVLZGJSSA-N
XLogP2.56
TPSA74.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.56
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-(hydroxyiminomethyl)-2-methoxyphenyl] acetate
CID 4619738
[4-[[5-[(4-acetyloxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-2-methoxyphenyl] acetate
CID 1381563
methyl 4-[(3-acetyloxy-4-methoxyphenyl)methylideneamino]benzoate
CID 625171
[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenyl] acetate
CID 9012463
[4-[(Z)-(1,3-dioxobenzo[de]isoquinolin-2-yl)iminomethyl]-2-methoxyphenyl] acetate
CID 8979943
[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 6323018
[4-[(E,3E)-3-hydroxyiminoprop-1-enyl]-2-methoxyphenyl] acetate
CID 14578558
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 964993
3-[(3,4-dimethoxyphenyl)methylideneamino]benzoic acid
CID 964852
[2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate
CID 932190
[2-acetyloxy-4-[[5-[(3,4-diacetyloxyphenyl)methylidene]-1,4-dimethyl-3,6-dioxopiperazin-2-ylidene]methyl]phenyl] acetate
CID 76571425
[4-[(E)-3-chloro-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 10858041

Frequently Asked Questions

What is the IUPAC name of [4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate (CID 4521869) is [4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate is COc1cc(/C=N/c2ccc3c(c2)n(C)c(=O)n3C)ccc1OC(C)=O.
What is the InChIKey of [4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate?
The InChIKey is ZXUCIQYWBHIIME-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12(23)26-17-8-5-13(9-18(17)25-4)11-20-14-6-7-15-16(10-14)22(3)19(24)21(15)2/h5-11H,1-4H3/b20-11+.
What are the key properties of [4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate?
[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate has a molecular weight of 353.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)iminomethyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 4521869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).