2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline

C20H23N3O4 — CID 11728350

IUPAC2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline
SMILESCOc1ccc(-c2ncn(C)c2-c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C20H23N3O4/c1-23-11-22-18(12-6-7-15(24-2)14(21)8-12)19(23)13-9-16(25-3)20(27-5)17(10-13)26-4/h6-11H,21H2,1-5H3
InChIKeyGHSWWQSJHMWVIK-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.37
Rot. Bonds6

About 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline

2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline (PubChem CID 11728350) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline
PubChem CID11728350
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline
SMILESCOc1ccc(-c2ncn(C)c2-c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C20H23N3O4/c1-23-11-22-18(12-6-7-15(24-2)14(21)8-12)19(23)13-9-16(25-3)20(27-5)17(10-13)26-4/h6-11H,21H2,1-5H3
InChIKeyGHSWWQSJHMWVIK-UHFFFAOYSA-N
XLogP3.37
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline?
The IUPAC name of 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline (CID 11728350) is 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline.
What is the SMILES notation for 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline?
The canonical SMILES for 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline is COc1ccc(-c2ncn(C)c2-c2cc(OC)c(OC)c(OC)c2)cc1N.
What is the InChIKey of 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline?
The InChIKey is GHSWWQSJHMWVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-23-11-22-18(12-6-7-15(24-2)14(21)8-12)19(23)13-9-16(25-3)20(27-5)17(10-13)26-4/h6-11H,21H2,1-5H3.
What are the key properties of 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline?
2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline has a molecular weight of 369.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline is sourced from PubChem (CID 11728350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).