4-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol

C13H18F3N3O — CID 64856926

IUPAC4-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2c(C(F)(F)F)nc3c2CCNC3)CC1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)12-18-10-7-17-6-5-11(10)19(12)8-1-3-9(20)4-2-8/h8-9,17,20H,1-7H2
InChIKeyHMKYFOSSOAQNPE-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.02
Rot. Bonds1

About 4-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol

4-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol (PubChem CID 64856926) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol
PubChem CID64856926
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name4-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2c(C(F)(F)F)nc3c2CCNC3)CC1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)12-18-10-7-17-6-5-11(10)19(12)8-1-3-9(20)4-2-8/h8-9,17,20H,1-7H2
InChIKeyHMKYFOSSOAQNPE-UHFFFAOYSA-N
XLogP2.02
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol (CID 64856926) is 4-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol is OC1CCC(n2c(C(F)(F)F)nc3c2CCNC3)CC1.
What is the InChIKey of 4-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol?
The InChIKey is HMKYFOSSOAQNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)12-18-10-7-17-6-5-11(10)19(12)8-1-3-9(20)4-2-8/h8-9,17,20H,1-7H2.
What are the key properties of 4-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol?
4-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol has a molecular weight of 289.30 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 64856926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).