N,N-dimethyl-4-[5-(3,4,5-trimethoxyphenyl)imidazol-1-yl]aniline

C20H23N3O3 — CID 11068184

IUPACN,N-dimethyl-4-[5-(3,4,5-trimethoxyphenyl)imidazol-1-yl]aniline
SMILESCOc1cc(-c2cncn2-c2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C20H23N3O3/c1-22(2)15-6-8-16(9-7-15)23-13-21-12-17(23)14-10-18(24-3)20(26-5)19(11-14)25-4/h6-13H,1-5H3
InChIKeyWTTZZHUPHXQFSG-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.63
Rot. Bonds6

About N,N-dimethyl-4-[5-(3,4,5-trimethoxyphenyl)imidazol-1-yl]aniline

N,N-dimethyl-4-[5-(3,4,5-trimethoxyphenyl)imidazol-1-yl]aniline (PubChem CID 11068184) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-(3,4,5-trimethoxyphenyl)imidazol-1-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-(3,4,5-trimethoxyphenyl)imidazol-1-yl]aniline
PubChem CID11068184
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN,N-dimethyl-4-[5-(3,4,5-trimethoxyphenyl)imidazol-1-yl]aniline
SMILESCOc1cc(-c2cncn2-c2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C20H23N3O3/c1-22(2)15-6-8-16(9-7-15)23-13-21-12-17(23)14-10-18(24-3)20(26-5)19(11-14)25-4/h6-13H,1-5H3
InChIKeyWTTZZHUPHXQFSG-UHFFFAOYSA-N
XLogP3.63
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)imidazole
CID 11233655
1-methyl-5-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-2,3-dihydroindole
CID 10948528
N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 54188943
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
(1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine
CID 104941610
4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114720752
1-(4-phenoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole
CID 25067758
4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-N,N-dimethylaniline
CID 23539019
4-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)imidazole
CID 56943298
N,N'-diethyl-N,N'-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine
CID 10234367
N,N-dimethyl-4-[3-(2,4,5-trimethoxyphenyl)triazol-4-yl]aniline
CID 59430271
methyl 5-[4-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-2H-1,3,4-oxadiazole-3-carboxylate
CID 11811759

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-(3,4,5-trimethoxyphenyl)imidazol-1-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[5-(3,4,5-trimethoxyphenyl)imidazol-1-yl]aniline (CID 11068184) is N,N-dimethyl-4-[5-(3,4,5-trimethoxyphenyl)imidazol-1-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[5-(3,4,5-trimethoxyphenyl)imidazol-1-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[5-(3,4,5-trimethoxyphenyl)imidazol-1-yl]aniline is COc1cc(-c2cncn2-c2ccc(N(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of N,N-dimethyl-4-[5-(3,4,5-trimethoxyphenyl)imidazol-1-yl]aniline?
The InChIKey is WTTZZHUPHXQFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22(2)15-6-8-16(9-7-15)23-13-21-12-17(23)14-10-18(24-3)20(26-5)19(11-14)25-4/h6-13H,1-5H3.
What are the key properties of N,N-dimethyl-4-[5-(3,4,5-trimethoxyphenyl)imidazol-1-yl]aniline?
N,N-dimethyl-4-[5-(3,4,5-trimethoxyphenyl)imidazol-1-yl]aniline has a molecular weight of 353.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-(3,4,5-trimethoxyphenyl)imidazol-1-yl]aniline is sourced from PubChem (CID 11068184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).