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

C14H20F3N3 — CID 64857320

IUPAC1-(4-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1CCC(n2c(C(F)(F)F)nc3c2CCNC3)CC1
InChIInChI=1S/C14H20F3N3/c1-9-2-4-10(5-3-9)20-12-6-7-18-8-11(12)19-13(20)14(15,16)17/h9-10,18H,2-8H2,1H3
InChIKeyRXHPVNLMAXFBON-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.30
Rot. Bonds1

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

1-(4-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857320) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857320
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name1-(4-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1CCC(n2c(C(F)(F)F)nc3c2CCNC3)CC1
InChIInChI=1S/C14H20F3N3/c1-9-2-4-10(5-3-9)20-12-6-7-18-8-11(12)19-13(20)14(15,16)17/h9-10,18H,2-8H2,1H3
InChIKeyRXHPVNLMAXFBON-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(4-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857320) is 1-(4-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC1CCC(n2c(C(F)(F)F)nc3c2CCNC3)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is RXHPVNLMAXFBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-9-2-4-10(5-3-9)20-12-6-7-18-8-11(12)19-13(20)14(15,16)17/h9-10,18H,2-8H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(4-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 287.33 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).