[3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine

C19H21N3O2 — CID 82559570

IUPAC[3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
SMILESCOc1cc(OC)cc(-c2nccn2Cc2cccc(CN)c2)c1
InChIInChI=1S/C19H21N3O2/c1-23-17-9-16(10-18(11-17)24-2)19-21-6-7-22(19)13-15-5-3-4-14(8-15)12-20/h3-11H,12-13,20H2,1-2H3
InChIKeyFXKDKRQQCRQUAF-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.07
Rot. Bonds6

About [3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine

[3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine (PubChem CID 82559570) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
PubChem CID82559570
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
SMILESCOc1cc(OC)cc(-c2nccn2Cc2cccc(CN)c2)c1
InChIInChI=1S/C19H21N3O2/c1-23-17-9-16(10-18(11-17)24-2)19-21-6-7-22(19)13-15-5-3-4-14(8-15)12-20/h3-11H,12-13,20H2,1-2H3
InChIKeyFXKDKRQQCRQUAF-UHFFFAOYSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(2-phenylimidazol-1-yl)methyl]phenyl]methanamine
CID 61069749
[3-[[2-(2,6-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559535
[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 82558960
3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
CID 60813843
1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole
CID 82562089
2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560728
[3-(1-propylimidazol-2-yl)phenyl]methanamine
CID 63974354
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline
CID 82559128
[4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 82558961
[4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559625
[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221774
[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82557940

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine (CID 82559570) is [3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine is COc1cc(OC)cc(-c2nccn2Cc2cccc(CN)c2)c1.
What is the InChIKey of [3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is FXKDKRQQCRQUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-23-17-9-16(10-18(11-17)24-2)19-21-6-7-22(19)13-15-5-3-4-14(8-15)12-20/h3-11H,12-13,20H2,1-2H3.
What are the key properties of [3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine?
[3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine has a molecular weight of 323.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 82559570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).