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

C13H20F3N3 — CID 64858339

IUPAC1-(4-methylpentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)CCCn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C13H20F3N3/c1-9(2)4-3-7-19-11-5-6-17-8-10(11)18-12(19)13(14,15)16/h9,17H,3-8H2,1-2H3
InChIKeyPEAHEIICZSDGTR-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.98
Rot. Bonds4

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

1-(4-methylpentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64858339) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(4-methylpentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(4-methylpentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64858339
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name1-(4-methylpentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)CCCn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C13H20F3N3/c1-9(2)4-3-7-19-11-5-6-17-8-10(11)18-12(19)13(14,15)16/h9,17H,3-8H2,1-2H3
InChIKeyPEAHEIICZSDGTR-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(4-methylpentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64858339) is 1-(4-methylpentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(4-methylpentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(4-methylpentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)CCCn1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of 1-(4-methylpentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is PEAHEIICZSDGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-9(2)4-3-7-19-11-5-6-17-8-10(11)18-12(19)13(14,15)16/h9,17H,3-8H2,1-2H3.
What are the key properties of 1-(4-methylpentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(4-methylpentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 275.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64858339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).