2-[3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]ethanamine

C11H16F3N3 — CID 82384023

IUPAC2-[3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]ethanamine
SMILESCn1c(C(F)(F)F)nc2c1CC(CCN)CC2
InChIInChI=1S/C11H16F3N3/c1-17-9-6-7(4-5-15)2-3-8(9)16-10(17)11(12,13)14/h7H,2-6,15H2,1H3
InChIKeyGGZHMCNOALZPMY-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.89
Rot. Bonds2

About 2-[3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]ethanamine

2-[3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]ethanamine (PubChem CID 82384023) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-[3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]ethanamine
PubChem CID82384023
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name2-[3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]ethanamine
SMILESCn1c(C(F)(F)F)nc2c1CC(CCN)CC2
InChIInChI=1S/C11H16F3N3/c1-17-9-6-7(4-5-15)2-3-8(9)16-10(17)11(12,13)14/h7H,2-6,15H2,1H3
InChIKeyGGZHMCNOALZPMY-UHFFFAOYSA-N
XLogP1.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]ethanamine?
The IUPAC name of 2-[3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]ethanamine (CID 82384023) is 2-[3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]ethanamine is Cn1c(C(F)(F)F)nc2c1CC(CCN)CC2.
What is the InChIKey of 2-[3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]ethanamine?
The InChIKey is GGZHMCNOALZPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-17-9-6-7(4-5-15)2-3-8(9)16-10(17)11(12,13)14/h7H,2-6,15H2,1H3.
What are the key properties of 2-[3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]ethanamine?
2-[3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]ethanamine has a molecular weight of 247.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-5-yl]ethanamine is sourced from PubChem (CID 82384023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).