2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine

C16H14F2N2O2S — CID 97000324

IUPAC2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine
SMILESO=[S@](Cc1cccc(OC(F)F)c1)Cc1cn2ccccc2n1
InChIInChI=1S/C16H14F2N2O2S/c17-16(18)22-14-5-3-4-12(8-14)10-23(21)11-13-9-20-7-2-1-6-15(20)19-13/h1-9,16H,10-11H2/t23-/m1/s1
InChIKeyLXTGJZFAJRTMBR-HSZRJFAPSA-N
MW336.36 g/mol
LogP3.38
Rot. Bonds6

About 2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine

2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine (PubChem CID 97000324) has the molecular formula C16H14F2N2O2S and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine
PubChem CID97000324
Molecular FormulaC16H14F2N2O2S
Molecular Weight336.36 g/mol
Exact Mass336.07
IUPAC Name2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine
SMILESO=[S@](Cc1cccc(OC(F)F)c1)Cc1cn2ccccc2n1
InChIInChI=1S/C16H14F2N2O2S/c17-16(18)22-14-5-3-4-12(8-14)10-23(21)11-13-9-20-7-2-1-6-15(20)19-13/h1-9,16H,10-11H2/t23-/m1/s1
InChIKeyLXTGJZFAJRTMBR-HSZRJFAPSA-N
XLogP3.38
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[3-(difluoromethoxy)phenyl]methylsulfinylmethyl]phenyl]methanol
CID 110004994
2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine
CID 99859153
1-[4-(difluoromethoxy)phenyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethanol
CID 111466958
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226382
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55712102
2-[4-(difluoromethoxy)phenyl]-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 51141982
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
3-(difluoromethoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzamide
CID 47040736
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24701418
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
2-[1-(3-chlorophenoxy)ethyl]-5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3,4-oxadiazole
CID 167978172
2-N,6-N-bis(imidazo[1,2-a]pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 43063902

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine (CID 97000324) is 2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine is O=[S@](Cc1cccc(OC(F)F)c1)Cc1cn2ccccc2n1.
What is the InChIKey of 2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is LXTGJZFAJRTMBR-HSZRJFAPSA-N. The full InChI is InChI=1S/C16H14F2N2O2S/c17-16(18)22-14-5-3-4-12(8-14)10-23(21)11-13-9-20-7-2-1-6-15(20)19-13/h1-9,16H,10-11H2/t23-/m1/s1.
What are the key properties of 2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine?
2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 336.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 97000324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).