1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine

C13H17N3 — CID 43651401

IUPAC1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2ccc(C)c(C)c2)[nH]1
InChIInChI=1S/C13H17N3/c1-9-4-5-11(6-10(9)2)12-7-15-13(16-12)8-14-3/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKeyJUWUEZJRARVNNR-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.41
Rot. Bonds3

About 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine

1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine (PubChem CID 43651401) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
PubChem CID43651401
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2ccc(C)c(C)c2)[nH]1
InChIInChI=1S/C13H17N3/c1-9-4-5-11(6-10(9)2)12-7-15-13(16-12)8-14-3/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKeyJUWUEZJRARVNNR-UHFFFAOYSA-N
XLogP2.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine (CID 43651401) is 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine is CNCc1ncc(-c2ccc(C)c(C)c2)[nH]1.
What is the InChIKey of 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine?
The InChIKey is JUWUEZJRARVNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-4-5-11(6-10(9)2)12-7-15-13(16-12)8-14-3/h4-7,14H,8H2,1-3H3,(H,15,16).
What are the key properties of 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine?
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 43651401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).