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

C9H12F3N3 — CID 50954289

IUPAC4-ethyl-4-(trifluoromethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCC1(C(F)(F)F)NCCc2[nH]cnc21
InChIInChI=1S/C9H12F3N3/c1-2-8(9(10,11)12)7-6(3-4-15-8)13-5-14-7/h5,15H,2-4H2,1H3,(H,13,14)
InChIKeyDLVITGZRXXJDQF-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.72
Rot. Bonds1

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

4-ethyl-4-(trifluoromethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 50954289) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 4-ethyl-4-(trifluoromethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-ethyl-4-(trifluoromethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID50954289
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name4-ethyl-4-(trifluoromethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCC1(C(F)(F)F)NCCc2[nH]cnc21
InChIInChI=1S/C9H12F3N3/c1-2-8(9(10,11)12)7-6(3-4-15-8)13-5-14-7/h5,15H,2-4H2,1H3,(H,13,14)
InChIKeyDLVITGZRXXJDQF-UHFFFAOYSA-N
XLogP1.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3',5',6',7'-Tetrahydrospiro[cyclohexane-1,4'-imidazo[4,5-c]pyridine]
CID 12397494
1-{3,5,6,7-Tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl}ethan-1-one
CID 12397504
3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride
CID 16418004
5-(Methylsulfonyl)-1'-(3,3,3-trifluoro-2-methylpropyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72844446
1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 86283435
Spinaceamine
CID 410112
4-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 588687
6-methyl-1H,4H,5H,6H,7H-imidazo(4,5-c)pyridine dihydrochloride
CID 162342543
4-methyl-4-[2-(methylthio)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 50979370
3',5',6',7'-Tetrahydrospiro[cyclobutane-1,4'-imidazo[4,5-c]pyridine]
CID 121553558
N,N-diethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-sulfonamide
CID 132394044
6-(Trifluoromethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-C]pyridine
CID 21782453

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(trifluoromethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 4-ethyl-4-(trifluoromethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 50954289) is 4-ethyl-4-(trifluoromethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-ethyl-4-(trifluoromethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 4-ethyl-4-(trifluoromethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCC1(C(F)(F)F)NCCc2[nH]cnc21.
What is the InChIKey of 4-ethyl-4-(trifluoromethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is DLVITGZRXXJDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-2-8(9(10,11)12)7-6(3-4-15-8)13-5-14-7/h5,15H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-ethyl-4-(trifluoromethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
4-ethyl-4-(trifluoromethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 219.21 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(trifluoromethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 50954289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).