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

C20H23N3O3 — CID 11121752

IUPACN,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline
SMILESCOc1cc(-c2nc[nH]c2-c2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C20H23N3O3/c1-23(2)15-8-6-13(7-9-15)18-19(22-12-21-18)14-10-16(24-3)20(26-5)17(11-14)25-4/h6-12H,1-5H3,(H,21,22)
InChIKeyZPUPIQYDFYKWFW-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.84
Rot. Bonds6

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

N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline (PubChem CID 11121752) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline
PubChem CID11121752
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline
SMILESCOc1cc(-c2nc[nH]c2-c2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C20H23N3O3/c1-23(2)15-8-6-13(7-9-15)18-19(22-12-21-18)14-10-16(24-3)20(26-5)17(11-14)25-4/h6-12H,1-5H3,(H,21,22)
InChIKeyZPUPIQYDFYKWFW-UHFFFAOYSA-N
XLogP3.84
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline (CID 11121752) is N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline is COc1cc(-c2nc[nH]c2-c2ccc(N(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline?
The InChIKey is ZPUPIQYDFYKWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-23(2)15-8-6-13(7-9-15)18-19(22-12-21-18)14-10-16(24-3)20(26-5)17(11-14)25-4/h6-12H,1-5H3,(H,21,22).
What are the key properties of N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline?
N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline has a molecular weight of 353.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]aniline is sourced from PubChem (CID 11121752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).