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

C14H20F3N3 — CID 64858158

IUPAC1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1(n2c(C(F)(F)F)nc3c2CCNC3)CCCCC1
InChIInChI=1S/C14H20F3N3/c1-13(6-3-2-4-7-13)20-11-5-8-18-9-10(11)19-12(20)14(15,16)17/h18H,2-9H2,1H3
InChIKeyXXIIPGFCWWOZLR-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.23
Rot. Bonds1

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

1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64858158) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64858158
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1(n2c(C(F)(F)F)nc3c2CCNC3)CCCCC1
InChIInChI=1S/C14H20F3N3/c1-13(6-3-2-4-7-13)20-11-5-8-18-9-10(11)19-12(20)14(15,16)17/h18H,2-9H2,1H3
InChIKeyXXIIPGFCWWOZLR-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-(1-methylcyclopentyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856837
1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857129
2-methyl-1-(4-methyloxan-4-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 113491338
1-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857794
1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858092
1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 104766222
1-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64921300
N,N-dimethyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]acetamide
CID 64857327
1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856976
1-(1-ethylcyclobutyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 113489177
1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859097
1-(2-phenylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859077

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64858158) is 1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC1(n2c(C(F)(F)F)nc3c2CCNC3)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is XXIIPGFCWWOZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-13(6-3-2-4-7-13)20-11-5-8-18-9-10(11)19-12(20)14(15,16)17/h18H,2-9H2,1H3.
What are the key properties of 1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 287.33 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64858158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).