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

C12H18F3N3O — CID 104766222

IUPAC1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOC(C)(C)Cn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C12H18F3N3O/c1-11(2,19-3)7-18-9-4-5-16-6-8(9)17-10(18)12(13,14)15/h16H,4-7H2,1-3H3
InChIKeyKWBBXJFKTGJNHD-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.97
Rot. Bonds3

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

1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 104766222) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID104766222
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOC(C)(C)Cn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C12H18F3N3O/c1-11(2,19-3)7-18-9-4-5-16-6-8(9)17-10(18)12(13,14)15/h16H,4-7H2,1-3H3
InChIKeyKWBBXJFKTGJNHD-UHFFFAOYSA-N
XLogP1.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857129
N,N-dimethyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]acetamide
CID 64857327
1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856976
1-(2-phenylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859077
N-[3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]propyl]methanesulfonamide
CID 106338518
2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858284
2-tert-butyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856921
2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857299
2-methyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859131
1-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857794
1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858158
N,N,2-trimethyl-1-(2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)propan-2-amine
CID 64857785

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 104766222) is 1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is COC(C)(C)Cn1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is KWBBXJFKTGJNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-11(2,19-3)7-18-9-4-5-16-6-8(9)17-10(18)12(13,14)15/h16H,4-7H2,1-3H3.
What are the key properties of 1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 277.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 104766222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).