3-methyl-2-propan-2-yl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine

C11H14F3N3 — CID 146359470

IUPAC3-methyl-2-propan-2-yl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine
SMILESCC(C)C1=NC2=CC(C(F)(F)F)=NCC2N1C
InChIInChI=1S/C11H14F3N3/c1-6(2)10-16-7-4-9(11(12,13)14)15-5-8(7)17(10)3/h4,6,8H,5H2,1-3H3
InChIKeyLRVIMZPOMJHUCR-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.26
Rot. Bonds1

About 3-methyl-2-propan-2-yl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine

3-methyl-2-propan-2-yl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine (PubChem CID 146359470) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine
PubChem CID146359470
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name3-methyl-2-propan-2-yl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine
SMILESCC(C)C1=NC2=CC(C(F)(F)F)=NCC2N1C
InChIInChI=1S/C11H14F3N3/c1-6(2)10-16-7-4-9(11(12,13)14)15-5-8(7)17(10)3/h4,6,8H,5H2,1-3H3
InChIKeyLRVIMZPOMJHUCR-UHFFFAOYSA-N
XLogP2.26
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine?
The IUPAC name of 3-methyl-2-propan-2-yl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine (CID 146359470) is 3-methyl-2-propan-2-yl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-2-propan-2-yl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-2-propan-2-yl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine is CC(C)C1=NC2=CC(C(F)(F)F)=NCC2N1C.
What is the InChIKey of 3-methyl-2-propan-2-yl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine?
The InChIKey is LRVIMZPOMJHUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-6(2)10-16-7-4-9(11(12,13)14)15-5-8(7)17(10)3/h4,6,8H,5H2,1-3H3.
What are the key properties of 3-methyl-2-propan-2-yl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine?
3-methyl-2-propan-2-yl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine has a molecular weight of 245.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-6-(trifluoromethyl)-3a,4-dihydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 146359470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).