2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine

C14H19N3O2 — CID 95467419

IUPAC2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2ccc(OC)cc2OC)[nH]1
InChIInChI=1S/C14H19N3O2/c1-15-7-6-14-16-9-12(17-14)11-5-4-10(18-2)8-13(11)19-3/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyHVFQLBRTBFHATE-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.86
Rot. Bonds6

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

2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine (PubChem CID 95467419) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine
PubChem CID95467419
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine
SMILESCNCCc1ncc(-c2ccc(OC)cc2OC)[nH]1
InChIInChI=1S/C14H19N3O2/c1-15-7-6-14-16-9-12(17-14)11-5-4-10(18-2)8-13(11)19-3/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyHVFQLBRTBFHATE-UHFFFAOYSA-N
XLogP1.86
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853832
N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60866079
1-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43649844
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650913
N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 60850115
2-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrrole
CID 82078942
[5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazol-2-yl]methanol
CID 116878297
2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95474591
2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole
CID 116878237
5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61364707
N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867500
tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 71279113

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine (CID 95467419) is 2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine is CNCCc1ncc(-c2ccc(OC)cc2OC)[nH]1.
What is the InChIKey of 2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine?
The InChIKey is HVFQLBRTBFHATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-7-6-14-16-9-12(17-14)11-5-4-10(18-2)8-13(11)19-3/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine?
2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine has a molecular weight of 261.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 95467419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).