6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine

C15H20F3N3 — CID 81455999

IUPAC6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine
SMILESCC(N)CCCC(C)c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H20F3N3/c1-9(4-3-5-10(2)19)14-20-12-7-6-11(15(16,17)18)8-13(12)21-14/h6-10H,3-5,19H2,1-2H3,(H,20,21)
InChIKeyLXAJKWMMUNKUQR-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.20
Rot. Bonds5

About 6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine

6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine (PubChem CID 81455999) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine.

Molecular Properties

Compound Name6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine
PubChem CID81455999
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine
SMILESCC(N)CCCC(C)c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C15H20F3N3/c1-9(4-3-5-10(2)19)14-20-12-7-6-11(15(16,17)18)8-13(12)21-14/h6-10H,3-5,19H2,1-2H3,(H,20,21)
InChIKeyLXAJKWMMUNKUQR-UHFFFAOYSA-N
XLogP4.20
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine?
The IUPAC name of 6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine (CID 81455999) is 6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine.
What is the SMILES notation for 6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine?
The canonical SMILES for 6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine is CC(N)CCCC(C)c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine?
The InChIKey is LXAJKWMMUNKUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-9(4-3-5-10(2)19)14-20-12-7-6-11(15(16,17)18)8-13(12)21-14/h6-10H,3-5,19H2,1-2H3,(H,20,21).
What are the key properties of 6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine?
6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine has a molecular weight of 299.34 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine is sourced from PubChem (CID 81455999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).