N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine

C20H23N3O3 — CID 47629504

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccccc2-n2ccnc2)c(OC)c1OC
InChIInChI=1S/C20H23N3O3/c1-24-18-9-8-16(19(25-2)20(18)26-3)13-22-12-15-6-4-5-7-17(15)23-11-10-21-14-23/h4-11,14,22H,12-13H2,1-3H3
InChIKeyPFRHQOXRHVGIDM-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.19
Rot. Bonds8

About N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine

N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine (PubChem CID 47629504) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
PubChem CID47629504
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccccc2-n2ccnc2)c(OC)c1OC
InChIInChI=1S/C20H23N3O3/c1-24-18-9-8-16(19(25-2)20(18)26-3)13-22-12-15-6-4-5-7-17(15)23-11-10-21-14-23/h4-11,14,22H,12-13H2,1-3H3
InChIKeyPFRHQOXRHVGIDM-UHFFFAOYSA-N
XLogP3.19
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine
CID 131919120
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293
4-[5-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]butanenitrile
CID 49248870
N-ethyl-2-[4-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 47629508
1-[(5S)-5-[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(2-imidazol-1-ylphenyl)methyl]methanamine
CID 26415471
N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071920
2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
CID 78975055
1-(3-ethoxy-4-propoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]methanamine
CID 86843120
N-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine
CID 136561404
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 1075948
1-(2-imidazol-1-ylphenyl)-N,N-dimethylmethanamine
CID 175241925
1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 136578950

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine (CID 47629504) is N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine is COc1ccc(CNCc2ccccc2-n2ccnc2)c(OC)c1OC.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine?
The InChIKey is PFRHQOXRHVGIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-24-18-9-8-16(19(25-2)20(18)26-3)13-22-12-15-6-4-5-7-17(15)23-11-10-21-14-23/h4-11,14,22H,12-13H2,1-3H3.
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine?
N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine has a molecular weight of 353.42 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine is sourced from PubChem (CID 47629504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).