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

C12H15N3 — CID 82506278

IUPAC[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]methanamine
SMILESCc1cc(C)cc(-c2ncc(CN)[nH]2)c1
InChIInChI=1S/C12H15N3/c1-8-3-9(2)5-10(4-8)12-14-7-11(6-13)15-12/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyCHUZCBQWRSBHCN-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.15
Rot. Bonds2

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

[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]methanamine (PubChem CID 82506278) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]methanamine
PubChem CID82506278
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]methanamine
SMILESCc1cc(C)cc(-c2ncc(CN)[nH]2)c1
InChIInChI=1S/C12H15N3/c1-8-3-9(2)5-10(4-8)12-14-7-11(6-13)15-12/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyCHUZCBQWRSBHCN-UHFFFAOYSA-N
XLogP2.15
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]methanamine (CID 82506278) is [2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]methanamine is Cc1cc(C)cc(-c2ncc(CN)[nH]2)c1.
What is the InChIKey of [2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]methanamine?
The InChIKey is CHUZCBQWRSBHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-3-9(2)5-10(4-8)12-14-7-11(6-13)15-12/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of [2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]methanamine?
[2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylphenyl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 82506278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).