4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine

C13H14F3N3O — CID 81456103

IUPAC4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine
SMILESCC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)COCC1N
InChIInChI=1S/C13H14F3N3O/c1-12(6-20-5-10(12)17)11-18-8-3-2-7(13(14,15)16)4-9(8)19-11/h2-4,10H,5-6,17H2,1H3,(H,18,19)
InChIKeyFFKIAWVWZDUPNY-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.20
Rot. Bonds1

About 4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine

4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine (PubChem CID 81456103) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine
PubChem CID81456103
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine
SMILESCC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)COCC1N
InChIInChI=1S/C13H14F3N3O/c1-12(6-20-5-10(12)17)11-18-8-3-2-7(13(14,15)16)4-9(8)19-11/h2-4,10H,5-6,17H2,1H3,(H,18,19)
InChIKeyFFKIAWVWZDUPNY-UHFFFAOYSA-N
XLogP2.20
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine?
The IUPAC name of 4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine (CID 81456103) is 4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine?
The canonical SMILES for 4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine is CC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)COCC1N.
What is the InChIKey of 4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine?
The InChIKey is FFKIAWVWZDUPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-12(6-20-5-10(12)17)11-18-8-3-2-7(13(14,15)16)4-9(8)19-11/h2-4,10H,5-6,17H2,1H3,(H,18,19).
What are the key properties of 4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine?
4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine has a molecular weight of 285.27 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]oxolan-3-amine is sourced from PubChem (CID 81456103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).