1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine

C7H10F3N3 — CID 43649883

IUPAC1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCCC(N)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C7H10F3N3/c1-2-4(11)6-12-3-5(13-6)7(8,9)10/h3-4H,2,11H2,1H3,(H,12,13)
InChIKeyQWADNMZUVUMYND-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.84
Rot. Bonds2

About 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine

1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 43649883) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID43649883
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine
SMILESCCC(N)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C7H10F3N3/c1-2-4(11)6-12-3-5(13-6)7(8,9)10/h3-4H,2,11H2,1H3,(H,12,13)
InChIKeyQWADNMZUVUMYND-UHFFFAOYSA-N
XLogP1.84
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine (CID 43649883) is 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine is CCC(N)c1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is QWADNMZUVUMYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-2-4(11)6-12-3-5(13-6)7(8,9)10/h3-4H,2,11H2,1H3,(H,12,13).
What are the key properties of 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine?
1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 193.17 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 43649883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).