4-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]iminomethyl]-N,N-dimethylaniline

C20H22N4O2 — CID 70421048

IUPAC4-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]iminomethyl]-N,N-dimethylaniline
SMILESCOc1ccc(-c2ncc(N=Cc3ccc(N(C)C)cc3)[nH]2)cc1OC
InChIInChI=1S/C20H22N4O2/c1-24(2)16-8-5-14(6-9-16)12-21-19-13-22-20(23-19)15-7-10-17(25-3)18(11-15)26-4/h5-13H,1-4H3,(H,22,23)
InChIKeyJUIVIDRTHSAGPO-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.91
Rot. Bonds6

About 4-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]iminomethyl]-N,N-dimethylaniline

4-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]iminomethyl]-N,N-dimethylaniline (PubChem CID 70421048) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]iminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]iminomethyl]-N,N-dimethylaniline
PubChem CID70421048
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]iminomethyl]-N,N-dimethylaniline
SMILESCOc1ccc(-c2ncc(N=Cc3ccc(N(C)C)cc3)[nH]2)cc1OC
InChIInChI=1S/C20H22N4O2/c1-24(2)16-8-5-14(6-9-16)12-21-19-13-22-20(23-19)15-7-10-17(25-3)18(11-15)26-4/h5-13H,1-4H3,(H,22,23)
InChIKeyJUIVIDRTHSAGPO-UHFFFAOYSA-N
XLogP3.91
TPSA62.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62250258
2-[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]acetonitrile
CID 82386420
2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 43654596
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
5-[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methylsulfinylpyrimidine
CID 174640688
4-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]-2-methoxyphenol
CID 154979830
[4-[4-[4-(dimethylamino)phenyl]-5-methyl-1H-imidazol-2-yl]-2-methoxyphenyl] dihydrogen phosphate
CID 19095145
4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline
CID 682583
4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-N,N-dimethylaniline
CID 23539019
2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride
CID 139785125
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 964993
4-[(E)-2-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)ethenyl]-N,N-dimethylaniline
CID 15379974

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]iminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]iminomethyl]-N,N-dimethylaniline (CID 70421048) is 4-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]iminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]iminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]iminomethyl]-N,N-dimethylaniline is COc1ccc(-c2ncc(N=Cc3ccc(N(C)C)cc3)[nH]2)cc1OC.
What is the InChIKey of 4-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]iminomethyl]-N,N-dimethylaniline?
The InChIKey is JUIVIDRTHSAGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24(2)16-8-5-14(6-9-16)12-21-19-13-22-20(23-19)15-7-10-17(25-3)18(11-15)26-4/h5-13H,1-4H3,(H,22,23).
What are the key properties of 4-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]iminomethyl]-N,N-dimethylaniline?
4-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]iminomethyl]-N,N-dimethylaniline has a molecular weight of 350.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]iminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 70421048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).