[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine

C10H10F3N3 — CID 104721226

IUPAC[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(CC(F)(F)F)nc12
InChIInChI=1S/C10H10F3N3/c11-10(12,13)4-8-15-7-3-1-2-6(5-14)9(7)16-8/h1-3H,4-5,14H2,(H,15,16)
InChIKeyXTMUKKJQFLLSEP-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.13
Rot. Bonds2

About [2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine

[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721226) has the molecular formula C10H10F3N3 and a molecular weight of 229.20 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine
PubChem CID104721226
Molecular FormulaC10H10F3N3
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC Name[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(CC(F)(F)F)nc12
InChIInChI=1S/C10H10F3N3/c11-10(12,13)4-8-15-7-3-1-2-6(5-14)9(7)16-8/h1-3H,4-5,14H2,(H,15,16)
InChIKeyXTMUKKJQFLLSEP-UHFFFAOYSA-N
XLogP2.13
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2,2,2-trifluoroethyl)-1H-benzimidazole
CID 60978005
[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 103311170
[2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721264
[2-(propoxymethyl)-1H-benzimidazol-4-yl]methanamine
CID 107941841
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233
[2-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-4-yl]methanamine
CID 104721289
[2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine
CID 104721339
[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721059
[2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721320
[2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721024
[3-[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]-4-pyridinyl]methyl acetate
CID 123907655
4-(4-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethyl)-1H-benzimidazole
CID 123440751

Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine (CID 104721226) is [2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine is NCc1cccc2[nH]c(CC(F)(F)F)nc12.
What is the InChIKey of [2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is XTMUKKJQFLLSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c11-10(12,13)4-8-15-7-3-1-2-6(5-14)9(7)16-8/h1-3H,4-5,14H2,(H,15,16).
What are the key properties of [2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine?
[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 229.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).