(2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine

C12H15F3N2 — CID 101382455

IUPAC(2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine
SMILESCC(C)(C)[C@H]1CN2C=C(C(F)(F)F)C=CC2=N1
InChIInChI=1S/C12H15F3N2/c1-11(2,3)9-7-17-6-8(12(13,14)15)4-5-10(17)16-9/h4-6,9H,7H2,1-3H3/t9-/m1/s1
InChIKeyYXOWKBXKOGCILV-SECBINFHSA-N
MW244.26 g/mol
LogP3.13
Rot. Bonds

About (2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine

(2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine (PubChem CID 101382455) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is (2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name(2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine
PubChem CID101382455
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name(2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine
SMILESCC(C)(C)[C@H]1CN2C=C(C(F)(F)F)C=CC2=N1
InChIInChI=1S/C12H15F3N2/c1-11(2,3)9-7-17-6-8(12(13,14)15)4-5-10(17)16-9/h4-6,9H,7H2,1-3H3/t9-/m1/s1
InChIKeyYXOWKBXKOGCILV-SECBINFHSA-N
XLogP3.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(Trifluoromethyl)-5a,9a-dihydropyrido[1,2-a]benzimidazole
CID 134852078
2-Propan-2-yl-8-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine
CID 70991678
3-tert-butyl-1,1-bis(trifluoromethyl)-8aH-imidazo[1,5-a]pyridine
CID 12237711
3-tert-butyl-7-methyl-1,1-bis(trifluoromethyl)-8aH-imidazo[1,5-a]pyridine
CID 12237715
(2R)-2-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine
CID 101382454
2,3,6-Trimethyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 89146086
(2R)-2,6-dimethyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 89703898
8-Ethyl-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 118189848
2,6-Dimethyl-2,3-dihydroimidazo[1,2-a]pyridine;ethane
CID 143136071
8-Tert-butyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 166563495
6-Tert-butyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 169900879
(2R)-2-[(E)-but-2-en-2-yl]-2,3-dihydroimidazo[1,2-a]pyridine
CID 173866301

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine?
The IUPAC name of (2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine (CID 101382455) is (2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine.
What is the SMILES notation for (2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine?
The canonical SMILES for (2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine is CC(C)(C)[C@H]1CN2C=C(C(F)(F)F)C=CC2=N1.
What is the InChIKey of (2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine?
The InChIKey is YXOWKBXKOGCILV-SECBINFHSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-11(2,3)9-7-17-6-8(12(13,14)15)4-5-10(17)16-9/h4-6,9H,7H2,1-3H3/t9-/m1/s1.
What are the key properties of (2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine?
(2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine has a molecular weight of 244.26 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 101382455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).