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

C15H22F3N3 — CID 64858716

IUPAC1-(1-cyclohexylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C1CCCCC1)n1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C15H22F3N3/c1-10(11-5-3-2-4-6-11)21-13-7-8-19-9-12(13)20-14(21)15(16,17)18/h10-11,19H,2-9H2,1H3
InChIKeyRXFNVNKSLJAVOZ-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.69
Rot. Bonds2

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

1-(1-cyclohexylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64858716) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64858716
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name1-(1-cyclohexylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C1CCCCC1)n1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C15H22F3N3/c1-10(11-5-3-2-4-6-11)21-13-7-8-19-9-12(13)20-14(21)15(16,17)18/h10-11,19H,2-9H2,1H3
InChIKeyRXFNVNKSLJAVOZ-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
CID 13150259
1-methyl-2-(propan-2-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CID 54592646
2-cyclohexyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
CID 91647712
1-methyl-4-(3-methyl-5H,6H,7H,8H-imidazo(1,5-a)pyrazin-1-yl)piperidine dihydrochloride
CID 145866940
2,3-dimethyl-3H,4H,5H,6H,7H-imidazo(4,5-c)pyridine dihydrochloride
CID 165691646
1-[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 132390085
1,2-Dimethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-C]pyridine
CID 13150258
3-Methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-3h-imidazo[4,5-c]pyridine
CID 45096982
4-Ethyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 58617553
1-Methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 58617555
1-Methyl-4-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 58617556
4-Cyclopropyl-1-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 58617557

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(1-cyclohexylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64858716) is 1-(1-cyclohexylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(1-cyclohexylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(1-cyclohexylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C1CCCCC1)n1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of 1-(1-cyclohexylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is RXFNVNKSLJAVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-10(11-5-3-2-4-6-11)21-13-7-8-19-9-12(13)20-14(21)15(16,17)18/h10-11,19H,2-9H2,1H3.
What are the key properties of 1-(1-cyclohexylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(1-cyclohexylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 301.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64858716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).