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

C15H22F3N3 — CID 64858092

IUPAC1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1CCCC(n2c(C(F)(F)F)nc3c2CCNC3)C1C
InChIInChI=1S/C15H22F3N3/c1-9-4-3-5-12(10(9)2)21-13-6-7-19-8-11(13)20-14(21)15(16,17)18/h9-10,12,19H,3-8H2,1-2H3
InChIKeyBRYCEJSSMXSUTD-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.54
Rot. Bonds1

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

1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64858092) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64858092
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1CCCC(n2c(C(F)(F)F)nc3c2CCNC3)C1C
InChIInChI=1S/C15H22F3N3/c1-9-4-3-5-12(10(9)2)21-13-6-7-19-8-11(13)20-14(21)15(16,17)18/h9-10,12,19H,3-8H2,1-2H3
InChIKeyBRYCEJSSMXSUTD-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

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Related Compounds

1-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64921300
1-(2,3-dimethylcyclohexyl)-2-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857898
1-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857794
1-(1-cyclopropylpyrrolidin-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859144
1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857129
1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856976
2-methyl-1-(2-methylcyclopropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858126
1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858158
1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859097
3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 83671003
2-cyclopentyl-1-[(2-methylcyclopentyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 107420835
1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 104766222

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64858092) is 1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC1CCCC(n2c(C(F)(F)F)nc3c2CCNC3)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is BRYCEJSSMXSUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-9-4-3-5-12(10(9)2)21-13-6-7-19-8-11(13)20-14(21)15(16,17)18/h9-10,12,19H,3-8H2,1-2H3.
What are the key properties of 1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 301.36 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64858092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).