1-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]ethanamine

C10H10F3N3 — CID 131256928

IUPAC1-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]ethanamine
SMILESCC(N)c1cc(C(F)(F)F)cc2[nH]cnc12
InChIInChI=1S/C10H10F3N3/c1-5(14)7-2-6(10(11,12)13)3-8-9(7)16-4-15-8/h2-5H,14H2,1H3,(H,15,16)
InChIKeyGEGJZAYBNFRSBL-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.60
Rot. Bonds1

About 1-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]ethanamine

1-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]ethanamine (PubChem CID 131256928) has the molecular formula C10H10F3N3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]ethanamine
PubChem CID131256928
Molecular FormulaC10H10F3N3
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name1-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]ethanamine
SMILESCC(N)c1cc(C(F)(F)F)cc2[nH]cnc12
InChIInChI=1S/C10H10F3N3/c1-5(14)7-2-6(10(11,12)13)3-8-9(7)16-4-15-8/h2-5H,14H2,1H3,(H,15,16)
InChIKeyGEGJZAYBNFRSBL-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

6-(trifluoromethyl)-1H-benzimidazole-4-thiol
CID 131218195
1-(1H-benzimidazol-4-yl)ethanamine
CID 82415420
4-propan-2-yl-6-(trifluoromethyl)-1H-indole
CID 58507761
4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 50961209
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 69314916
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
CID 71074670
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 161165676
[7-(difluoromethyl)-3H-benzimidazol-5-yl]methanol
CID 130777663
6-iodo-4-(trifluoromethyl)-1H-benzimidazole
CID 130981899
4-(difluoromethyl)-6-iodo-1H-benzimidazole
CID 130952734
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]ethanamine?
The IUPAC name of 1-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]ethanamine (CID 131256928) is 1-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]ethanamine?
The canonical SMILES for 1-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]ethanamine is CC(N)c1cc(C(F)(F)F)cc2[nH]cnc12.
What is the InChIKey of 1-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]ethanamine?
The InChIKey is GEGJZAYBNFRSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c1-5(14)7-2-6(10(11,12)13)3-8-9(7)16-4-15-8/h2-5H,14H2,1H3,(H,15,16).
What are the key properties of 1-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]ethanamine?
1-[6-(trifluoromethyl)-1H-benzimidazol-4-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-4-yl]ethanamine is sourced from PubChem (CID 131256928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).