1,4-dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine

C9H12F3N3 — CID 140501600

IUPAC1,4-dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1NC=CC2=C1NC(C(F)(F)F)N2C
InChIInChI=1S/C9H12F3N3/c1-5-7-6(3-4-13-5)15(2)8(14-7)9(10,11)12/h3-5,8,13-14H,1-2H3
InChIKeyVHTYRMYYNZHDOB-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.13
Rot. Bonds

About 1,4-dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine

1,4-dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 140501600) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 1,4-dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1,4-dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine
PubChem CID140501600
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name1,4-dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine
SMILESCC1NC=CC2=C1NC(C(F)(F)F)N2C
InChIInChI=1S/C9H12F3N3/c1-5-7-6(3-4-13-5)15(2)8(14-7)9(10,11)12/h3-5,8,13-14H,1-2H3
InChIKeyVHTYRMYYNZHDOB-UHFFFAOYSA-N
XLogP1.13
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine
CID 151380274
5-Fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine
CID 155197931
4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 156715331
1-(2-methyl-1,3-dihydroimidazol-2-yl)-2-(trifluoromethyl)-2H-pyridine
CID 172776813
(2S,3Z)-5-methyl-3-N-[(1S)-1-[methyl-[(Z)-1,1,1-trifluoropent-2-en-2-yl]amino]ethyl]hexa-3,5-diene-2,3-diamine
CID 147285372
(1R)-1-(7-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)ethanamine
CID 134396175
Ethane;2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 142199123
1-Methyl-3a,4-dihydropyrrolo[3,2-b]pyridin-2-amine
CID 156354161
2-Ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 142199124

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1,4-dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine (CID 140501600) is 1,4-dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1,4-dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1,4-dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine is CC1NC=CC2=C1NC(C(F)(F)F)N2C.
What is the InChIKey of 1,4-dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is VHTYRMYYNZHDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-5-7-6(3-4-13-5)15(2)8(14-7)9(10,11)12/h3-5,8,13-14H,1-2H3.
What are the key properties of 1,4-dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine?
1,4-dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 219.21 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(trifluoromethyl)-2,3,4,5-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 140501600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).