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

C19H21N3O4 — CID 10948240

IUPAC2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline
SMILESCOc1ccc(-c2[nH]cnc2-c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H21N3O4/c1-23-14-6-5-11(7-13(14)20)17-18(22-10-21-17)12-8-15(24-2)19(26-4)16(9-12)25-3/h5-10H,20H2,1-4H3,(H,21,22)
InChIKeyBXDOMEUYMUKTSS-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.36
Rot. Bonds6

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

2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline (PubChem CID 10948240) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline
PubChem CID10948240
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline
SMILESCOc1ccc(-c2[nH]cnc2-c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H21N3O4/c1-23-14-6-5-11(7-13(14)20)17-18(22-10-21-17)12-8-15(24-2)19(26-4)16(9-12)25-3/h5-10H,20H2,1-4H3,(H,21,22)
InChIKeyBXDOMEUYMUKTSS-UHFFFAOYSA-N
XLogP3.36
TPSA91.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-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

Related Compounds

Phenol, 4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,6-dimethoxy-
CID 1842049
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
2-Methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline
CID 11728350
6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole
CID 25050335
5-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
CID 71717474
5-Phenyl-4-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
CID 71718679
2,6-dimethoxy-4-(5-phenyl-1H-imidazol-2-yl)phenol
CID 154667086
2,6-dimethoxy-4-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenol
CID 154667090
N-(3,4,5-trimethoxybenzyl)-1H-benzo[d]imidazol-2-amine hydrochloride
CID 5307594
1-Methyl-6-[5-(3,4,5-trimethoxy-phenyl)-3H-imidazol-4-yl]-1H-indole
CID 10959424
2-Methoxy-5-[5-(3,4,5-trimethoxy-phenyl)-3H-imidazol-4-yl]-phenol
CID 11013714

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline?
The IUPAC name of 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline (CID 10948240) is 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline.
What is the SMILES notation for 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline?
The canonical SMILES for 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline is COc1ccc(-c2[nH]cnc2-c2cc(OC)c(OC)c(OC)c2)cc1N.
What is the InChIKey of 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline?
The InChIKey is BXDOMEUYMUKTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-23-14-6-5-11(7-13(14)20)17-18(22-10-21-17)12-8-15(24-2)19(26-4)16(9-12)25-3/h5-10H,20H2,1-4H3,(H,21,22).
What are the key properties of 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline?
2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline has a molecular weight of 355.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline is sourced from PubChem (CID 10948240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).