2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline

C19H21N3O4 — CID 11810399

IUPAC2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline
SMILESCOc1ccc(-c2cncn2-c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H21N3O4/c1-23-16-6-5-12(7-14(16)20)15-10-21-11-22(15)13-8-17(24-2)19(26-4)18(9-13)25-3/h5-11H,20H2,1-4H3
InChIKeyFUKUBTZESIVINN-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.16
Rot. Bonds6

About 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline

2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline (PubChem CID 11810399) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline
PubChem CID11810399
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline
SMILESCOc1ccc(-c2cncn2-c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H21N3O4/c1-23-16-6-5-12(7-14(16)20)15-10-21-11-22(15)13-8-17(24-2)19(26-4)18(9-13)25-3/h5-11H,20H2,1-4H3
InChIKeyFUKUBTZESIVINN-UHFFFAOYSA-N
XLogP3.16
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline?
The IUPAC name of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline (CID 11810399) is 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline.
What is the SMILES notation for 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline?
The canonical SMILES for 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline is COc1ccc(-c2cncn2-c2cc(OC)c(OC)c(OC)c2)cc1N.
What is the InChIKey of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline?
The InChIKey is FUKUBTZESIVINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-23-16-6-5-12(7-14(16)20)15-10-21-11-22(15)13-8-17(24-2)19(26-4)18(9-13)25-3/h5-11H,20H2,1-4H3.
What are the key properties of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline?
2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline has a molecular weight of 355.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline is sourced from PubChem (CID 11810399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).