3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride

C8H12Cl2F3N3 — CID 131884213

IUPAC3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride
SMILESCl.Cl.Cn1c(C(F)(F)F)nc2c1CNCC2
InChIInChI=1S/C8H10F3N3.2ClH/c1-14-6-4-12-3-2-5(6)13-7(14)8(9,10)11;;/h12H,2-4H2,1H3;2*1H
InChIKeyBDTZHRTWJJUCDU-UHFFFAOYSA-N
MW278.11 g/mol
LogP1.93
Rot. Bonds

About 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride

3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride (PubChem CID 131884213) has the molecular formula C8H12Cl2F3N3 and a molecular weight of 278.11 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride
PubChem CID131884213
Molecular FormulaC8H12Cl2F3N3
Molecular Weight278.11 g/mol
Exact Mass277.04
IUPAC Name3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride
SMILESCl.Cl.Cn1c(C(F)(F)F)nc2c1CNCC2
InChIInChI=1S/C8H10F3N3.2ClH/c1-14-6-4-12-3-2-5(6)13-7(14)8(9,10)11;;/h12H,2-4H2,1H3;2*1H
InChIKeyBDTZHRTWJJUCDU-UHFFFAOYSA-N
XLogP1.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride?
The IUPAC name of 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride (CID 131884213) is 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride is Cl.Cl.Cn1c(C(F)(F)F)nc2c1CNCC2.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride?
The InChIKey is BDTZHRTWJJUCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3.2ClH/c1-14-6-4-12-3-2-5(6)13-7(14)8(9,10)11;;/h12H,2-4H2,1H3;2*1H.
What are the key properties of 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride?
3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride has a molecular weight of 278.11 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride is sourced from PubChem (CID 131884213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).