2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine

C10H9F4N3 — CID 79257733

IUPAC2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
SMILESFc1cccc2[nH]c(CNCC(F)(F)F)nc12
InChIInChI=1S/C10H9F4N3/c11-6-2-1-3-7-9(6)17-8(16-7)4-15-5-10(12,13)14/h1-3,15H,4-5H2,(H,16,17)
InChIKeyZDVASYPSXFARFZ-UHFFFAOYSA-N
MW247.19 g/mol
LogP2.35
Rot. Bonds3

About 2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine (PubChem CID 79257733) has the molecular formula C10H9F4N3 and a molecular weight of 247.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
PubChem CID79257733
Molecular FormulaC10H9F4N3
Molecular Weight247.19 g/mol
Exact Mass247.07
IUPAC Name2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
SMILESFc1cccc2[nH]c(CNCC(F)(F)F)nc12
InChIInChI=1S/C10H9F4N3/c11-6-2-1-3-7-9(6)17-8(16-7)4-15-5-10(12,13)14/h1-3,15H,4-5H2,(H,16,17)
InChIKeyZDVASYPSXFARFZ-UHFFFAOYSA-N
XLogP2.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.19
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine
CID 63772504
tert-butyl N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]carbamate
CID 118996720
4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]-1H-benzimidazole
CID 112603045
N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine
CID 78911282
4-fluoro-2-(pyridin-4-ylmethyl)-1H-benzimidazole
CID 60977589
2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine
CID 79257984
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 79258066
N-[2-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylaniline
CID 60837376
3-(4-fluoro-1H-benzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837837
2-[2-[(4-fluoro-1H-benzimidazol-2-yl)methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 129052434
4-fluoro-2-(thian-4-ylmethyl)-1H-benzimidazole
CID 83135923
2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole
CID 64722128

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine (CID 79257733) is 2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine is Fc1cccc2[nH]c(CNCC(F)(F)F)nc12.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine?
The InChIKey is ZDVASYPSXFARFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N3/c11-6-2-1-3-7-9(6)17-8(16-7)4-15-5-10(12,13)14/h1-3,15H,4-5H2,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine has a molecular weight of 247.19 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 79257733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).