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

C10H12Cl2F3N3 — CID 161165676

IUPAC1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
SMILESCC(N)c1nc2ccc(C(F)(F)F)cc2[nH]1.Cl.Cl
InChIInChI=1S/C10H10F3N3.2ClH/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);2*1H
InChIKeyUQMRNTZRBSDEEP-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.44
Rot. Bonds1

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

1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride (PubChem CID 161165676) has the molecular formula C10H12Cl2F3N3 and a molecular weight of 302.13 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
PubChem CID161165676
Molecular FormulaC10H12Cl2F3N3
Molecular Weight302.13 g/mol
Exact Mass301.04
IUPAC Name1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
SMILESCC(N)c1nc2ccc(C(F)(F)F)cc2[nH]1.Cl.Cl
InChIInChI=1S/C10H10F3N3.2ClH/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);2*1H
InChIKeyUQMRNTZRBSDEEP-UHFFFAOYSA-N
XLogP3.44
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 69314916
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
(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 66734805
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
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;dihydrochloride?
The IUPAC name of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride (CID 161165676) is 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride.
What is the SMILES notation for 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride?
The canonical SMILES for 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride is CC(N)c1nc2ccc(C(F)(F)F)cc2[nH]1.Cl.Cl.
What is the InChIKey of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride?
The InChIKey is UQMRNTZRBSDEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3.2ClH/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);2*1H.
What are the key properties of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride?
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride has a molecular weight of 302.13 g/mol, XLogP of 3.44, 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;dihydrochloride is sourced from PubChem (CID 161165676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).