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

C6H8F3N3 — CID 82373825

IUPAC[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methanamine
SMILESCc1[nH]c(C(F)(F)F)nc1CN
InChIInChI=1S/C6H8F3N3/c1-3-4(2-10)12-5(11-3)6(7,8)9/h2,10H2,1H3,(H,11,12)
InChIKeyMXLDHACNUWNYKZ-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.20
Rot. Bonds1

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

[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methanamine (PubChem CID 82373825) has the molecular formula C6H8F3N3 and a molecular weight of 179.14 g/mol. Its IUPAC name is [5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methanamine
PubChem CID82373825
Molecular FormulaC6H8F3N3
Molecular Weight179.14 g/mol
Exact Mass179.07
IUPAC Name[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methanamine
SMILESCc1[nH]c(C(F)(F)F)nc1CN
InChIInChI=1S/C6H8F3N3/c1-3-4(2-10)12-5(11-3)6(7,8)9/h2,10H2,1H3,(H,11,12)
InChIKeyMXLDHACNUWNYKZ-UHFFFAOYSA-N
XLogP1.20
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methanamine?
The IUPAC name of [5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methanamine (CID 82373825) is [5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methanamine.
What is the SMILES notation for [5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methanamine?
The canonical SMILES for [5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methanamine is Cc1[nH]c(C(F)(F)F)nc1CN.
What is the InChIKey of [5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methanamine?
The InChIKey is MXLDHACNUWNYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-3-4(2-10)12-5(11-3)6(7,8)9/h2,10H2,1H3,(H,11,12).
What are the key properties of [5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methanamine?
[5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methanamine has a molecular weight of 179.14 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(trifluoromethyl)-1H-imidazol-4-yl]methanamine is sourced from PubChem (CID 82373825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).