[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine

C13H11F3N4 — CID 103386804

IUPAC[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine
SMILESNCc1ccc2[nH]cc(-c3ncc(C(F)(F)F)[nH]3)c2c1
InChIInChI=1S/C13H11F3N4/c14-13(15,16)11-6-19-12(20-11)9-5-18-10-2-1-7(4-17)3-8(9)10/h1-3,5-6,18H,4,17H2,(H,19,20)
InChIKeyWLKZVPUSDJAHRR-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.04
Rot. Bonds2

About [3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine

[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine (PubChem CID 103386804) has the molecular formula C13H11F3N4 and a molecular weight of 280.25 g/mol. Its IUPAC name is [3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine
PubChem CID103386804
Molecular FormulaC13H11F3N4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine
SMILESNCc1ccc2[nH]cc(-c3ncc(C(F)(F)F)[nH]3)c2c1
InChIInChI=1S/C13H11F3N4/c14-13(15,16)11-6-19-12(20-11)9-5-18-10-2-1-7(4-17)3-8(9)10/h1-3,5-6,18H,4,17H2,(H,19,20)
InChIKeyWLKZVPUSDJAHRR-UHFFFAOYSA-N
XLogP3.04
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine?
The IUPAC name of [3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine (CID 103386804) is [3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine.
What is the SMILES notation for [3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine?
The canonical SMILES for [3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine is NCc1ccc2[nH]cc(-c3ncc(C(F)(F)F)[nH]3)c2c1.
What is the InChIKey of [3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine?
The InChIKey is WLKZVPUSDJAHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4/c14-13(15,16)11-6-19-12(20-11)9-5-18-10-2-1-7(4-17)3-8(9)10/h1-3,5-6,18H,4,17H2,(H,19,20).
What are the key properties of [3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine?
[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine has a molecular weight of 280.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-indol-5-yl]methanamine is sourced from PubChem (CID 103386804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).