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

C14H20F3N3 — CID 64857720

IUPAC1-(cyclohexylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)(F)c1nc2c(n1CC1CCCCC1)CCNC2
InChIInChI=1S/C14H20F3N3/c15-14(16,17)13-19-11-8-18-7-6-12(11)20(13)9-10-4-2-1-3-5-10/h10,18H,1-9H2
InChIKeyMHSBSHQWXJUNNH-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.13
Rot. Bonds2

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

1-(cyclohexylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857720) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857720
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name1-(cyclohexylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESFC(F)(F)c1nc2c(n1CC1CCCCC1)CCNC2
InChIInChI=1S/C14H20F3N3/c15-14(16,17)13-19-11-8-18-7-6-12(11)20(13)9-10-4-2-1-3-5-10/h10,18H,1-9H2
InChIKeyMHSBSHQWXJUNNH-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.13
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
2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 53393361
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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(cyclohexylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857720) is 1-(cyclohexylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(cyclohexylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is FC(F)(F)c1nc2c(n1CC1CCCCC1)CCNC2.
What is the InChIKey of 1-(cyclohexylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is MHSBSHQWXJUNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c15-14(16,17)13-19-11-8-18-7-6-12(11)20(13)9-10-4-2-1-3-5-10/h10,18H,1-9H2.
What are the key properties of 1-(cyclohexylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(cyclohexylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 287.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).