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

C10H10F3N3 — CID 69314916

IUPAC1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
SMILESCC(N)c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C10H10F3N3/c1-5(14)9-15-7-3-2-6(10(11,12)13)4-8(7)16-9/h2-5H,14H2,1H3,(H,15,16)
InChIKeyMHNVLODPEUSUDN-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.60
Rot. Bonds1

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

1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine (PubChem CID 69314916) has the molecular formula C10H10F3N3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
PubChem CID69314916
Molecular FormulaC10H10F3N3
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
SMILESCC(N)c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C10H10F3N3/c1-5(14)9-15-7-3-2-6(10(11,12)13)4-8(7)16-9/h2-5H,14H2,1H3,(H,15,16)
InChIKeyMHNVLODPEUSUDN-UHFFFAOYSA-N
XLogP2.60
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 161165676
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine
CID 81455999
2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one
CID 136900820
phenyl-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine
CID 81456700
(3R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pentane-1,2,3,4-tetrol
CID 162542970
2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81456711
2-[(1S)-1-aminoethyl]-3H-benzimidazol-5-ol
CID 69314900
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 66734805
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
(1S,2R,3R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]butane-1,2,3,4-tetrol
CID 118129027

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine?
The IUPAC name of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine (CID 69314916) is 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine?
The canonical SMILES for 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine is CC(N)c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine?
The InChIKey is MHNVLODPEUSUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c1-5(14)9-15-7-3-2-6(10(11,12)13)4-8(7)16-9/h2-5H,14H2,1H3,(H,15,16).
What are the key properties of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine?
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine has a molecular weight of 229.21 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 69314916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).