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

C20H23N3O3 — CID 10893577

IUPACN,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline
SMILESCOc1cc(-n2cncc2-c2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C20H23N3O3/c1-22(2)15-8-6-14(7-9-15)17-12-21-13-23(17)16-10-18(24-3)20(26-5)19(11-16)25-4/h6-13H,1-5H3
InChIKeyYLXGYHZPMHNEKX-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.63
Rot. Bonds6

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

N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline (PubChem CID 10893577) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline
PubChem CID10893577
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline
SMILESCOc1cc(-n2cncc2-c2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C20H23N3O3/c1-22(2)15-8-6-14(7-9-15)17-12-21-13-23(17)16-10-18(24-3)20(26-5)19(11-16)25-4/h6-13H,1-5H3
InChIKeyYLXGYHZPMHNEKX-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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline (CID 10893577) is N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline is COc1cc(-n2cncc2-c2ccc(N(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline?
The InChIKey is YLXGYHZPMHNEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22(2)15-8-6-14(7-9-15)17-12-21-13-23(17)16-10-18(24-3)20(26-5)19(11-16)25-4/h6-13H,1-5H3.
What are the key properties of N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline?
N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)imidazol-4-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-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]aniline is sourced from PubChem (CID 10893577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).