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

C15H22F3N3 — CID 64857794

IUPAC1-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1CC(C)CC(n2c(C(F)(F)F)nc3c2CCNC3)C1
InChIInChI=1S/C15H22F3N3/c1-9-5-10(2)7-11(6-9)21-13-3-4-19-8-12(13)20-14(21)15(16,17)18/h9-11,19H,3-8H2,1-2H3
InChIKeyPYLYSDOQAZDWMN-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.54
Rot. Bonds1

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

1-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857794) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857794
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name1-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1CC(C)CC(n2c(C(F)(F)F)nc3c2CCNC3)C1
InChIInChI=1S/C15H22F3N3/c1-9-5-10(2)7-11(6-9)21-13-3-4-19-8-12(13)20-14(21)15(16,17)18/h9-11,19H,3-8H2,1-2H3
InChIKeyPYLYSDOQAZDWMN-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-(3,5-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-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858092
1-(1-cyclopropylpyrrolidin-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859144
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 80725346
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-(4-methylcyclohexyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857125
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-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 104766222
4-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)thiane 1,1-dioxide
CID 64856948
3-cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 83671003

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857794) is 1-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC1CC(C)CC(n2c(C(F)(F)F)nc3c2CCNC3)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is PYLYSDOQAZDWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-9-5-10(2)7-11(6-9)21-13-3-4-19-8-12(13)20-14(21)15(16,17)18/h9-11,19H,3-8H2,1-2H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(3,5-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-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).