1-(3-methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C12H18F3N3 — CID 64856519

IUPAC1-(3-methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)CCn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C12H18F3N3/c1-8(2)4-6-18-10-3-5-16-7-9(10)17-11(18)12(13,14)15/h8,16H,3-7H2,1-2H3
InChIKeyPEBXYEHPBNODAF-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.59
Rot. Bonds3

About 1-(3-methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(3-methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64856519) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(3-methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64856519
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name1-(3-methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)CCn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C12H18F3N3/c1-8(2)4-6-18-10-3-5-16-7-9(10)17-11(18)12(13,14)15/h8,16H,3-7H2,1-2H3
InChIKeyPEBXYEHPBNODAF-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3-methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64856519) is 1-(3-methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3-methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)CCn1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of 1-(3-methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is PEBXYEHPBNODAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8(2)4-6-18-10-3-5-16-7-9(10)17-11(18)12(13,14)15/h8,16H,3-7H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(3-methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 261.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64856519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).