1-[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylethanamine

C14H19N3 — CID 114265768

IUPAC1-[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(-c2cc(C)cc(C)c2)[nH]1
InChIInChI=1S/C14H19N3/c1-9-5-10(2)7-12(6-9)14-16-8-13(17-14)11(3)15-4/h5-8,11,15H,1-4H3,(H,16,17)
InChIKeyGRCABDXFPIEYLR-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.97
Rot. Bonds3

About 1-[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylethanamine

1-[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylethanamine (PubChem CID 114265768) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylethanamine
PubChem CID114265768
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(-c2cc(C)cc(C)c2)[nH]1
InChIInChI=1S/C14H19N3/c1-9-5-10(2)7-12(6-9)14-16-8-13(17-14)11(3)15-4/h5-8,11,15H,1-4H3,(H,16,17)
InChIKeyGRCABDXFPIEYLR-UHFFFAOYSA-N
XLogP2.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylethanamine (CID 114265768) is 1-[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylethanamine is CNC(C)c1cnc(-c2cc(C)cc(C)c2)[nH]1.
What is the InChIKey of 1-[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylethanamine?
The InChIKey is GRCABDXFPIEYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9-5-10(2)7-12(6-9)14-16-8-13(17-14)11(3)15-4/h5-8,11,15H,1-4H3,(H,16,17).
What are the key properties of 1-[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylethanamine?
1-[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 114265768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).