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'}

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Related Compounds

7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 56668417
3-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}phenol
CID 11595532
3-{6-[(3,4,5-Trimethoxyphenyl)amino]pyrazin-2-yl}benzonitrile
CID 11624721
Acetamide, N-[3-[6-[(3,4,5-trimethoxyphenyl)amino]pyrazinyl]phenyl]-
CID 11682654
6-(pyridin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879140
1-Phenyl-3-(4-{6-[(3,4,5-trimethoxyphenyl)amino]pyrazin-2-yl}phenyl)urea
CID 24879141
5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole
CID 11290749
2-(naphthalen-2-yl)-1-(3,5-trimethoxyphenyl)-1H-imidazole
CID 11559546
1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
CID 11688687
3-{3-[(4-Methoxyphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16009029
2-Methoxy-5-[3-methyl-5-(3,4,5-trimethoxy-phenyl)-3H-imidazol-4-yl]-phenylamine
CID 9799457
1-(2-Methyl-6-{3-[4-(3,4,5-trimethoxy-phenyl)-imidazol-1-yl]-propoxy}-phenyl)-3-pentyl-urea
CID 10413994

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).