[2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine

C13H17N3O2 — CID 95458015

IUPAC[2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine
SMILESCOc1ccc(Cc2ncc(CN)[nH]2)c(OC)c1
InChIInChI=1S/C13H17N3O2/c1-17-11-4-3-9(12(6-11)18-2)5-13-15-8-10(7-14)16-13/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,16)
InChIKeyKVXIQYSUIHPGRL-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.48
Rot. Bonds5

About [2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine

[2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine (PubChem CID 95458015) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine
PubChem CID95458015
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine
SMILESCOc1ccc(Cc2ncc(CN)[nH]2)c(OC)c1
InChIInChI=1S/C13H17N3O2/c1-17-11-4-3-9(12(6-11)18-2)5-13-15-8-10(7-14)16-13/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,16)
InChIKeyKVXIQYSUIHPGRL-UHFFFAOYSA-N
XLogP1.48
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine
CID 95466138
[2-[(2,4-dimethoxyphenyl)methyl]-1-methylimidazol-4-yl]methanamine
CID 95467379
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95467419
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650913
2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile
CID 96602601
[5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 83970160
[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82289277
2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid
CID 82301547
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
4-(2,4-dimethoxyphenyl)but-2-yn-1-amine
CID 91200946
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine (CID 95458015) is [2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine is COc1ccc(Cc2ncc(CN)[nH]2)c(OC)c1.
What is the InChIKey of [2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine?
The InChIKey is KVXIQYSUIHPGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-11-4-3-9(12(6-11)18-2)5-13-15-8-10(7-14)16-13/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,16).
What are the key properties of [2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine?
[2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine has a molecular weight of 247.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 95458015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).