5-propan-2-yl-4-(trifluoromethyl)-1H-imidazol-2-amine

C7H10F3N3 — CID 105446680

IUPAC5-propan-2-yl-4-(trifluoromethyl)-1H-imidazol-2-amine
SMILESCC(C)c1[nH]c(N)nc1C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-3(2)4-5(7(8,9)10)13-6(11)12-4/h3H,1-2H3,(H3,11,12,13)
InChIKeyOTXWPDVCHPONDB-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.13
Rot. Bonds1

About 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazol-2-amine

5-propan-2-yl-4-(trifluoromethyl)-1H-imidazol-2-amine (PubChem CID 105446680) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-4-(trifluoromethyl)-1H-imidazol-2-amine
PubChem CID105446680
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name5-propan-2-yl-4-(trifluoromethyl)-1H-imidazol-2-amine
SMILESCC(C)c1[nH]c(N)nc1C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-3(2)4-5(7(8,9)10)13-6(11)12-4/h3H,1-2H3,(H3,11,12,13)
InChIKeyOTXWPDVCHPONDB-UHFFFAOYSA-N
XLogP2.13
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazol-2-amine?
The IUPAC name of 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazol-2-amine (CID 105446680) is 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazol-2-amine?
The canonical SMILES for 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazol-2-amine is CC(C)c1[nH]c(N)nc1C(F)(F)F.
What is the InChIKey of 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazol-2-amine?
The InChIKey is OTXWPDVCHPONDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-3(2)4-5(7(8,9)10)13-6(11)12-4/h3H,1-2H3,(H3,11,12,13).
What are the key properties of 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazol-2-amine?
5-propan-2-yl-4-(trifluoromethyl)-1H-imidazol-2-amine has a molecular weight of 193.17 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-(trifluoromethyl)-1H-imidazol-2-amine is sourced from PubChem (CID 105446680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).