2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine

C19H18N4S — CID 38015813

IUPAC2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(C)c(-n2ccnc2SCc2cn3ccccc3n2)c1
InChIInChI=1S/C19H18N4S/c1-14-6-7-15(2)17(11-14)23-10-8-20-19(23)24-13-16-12-22-9-4-3-5-18(22)21-16/h3-12H,13H2,1-2H3
InChIKeyXVDJABSXTXVVTJ-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.43
Rot. Bonds4

About 2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine

2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 38015813) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID38015813
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(C)c(-n2ccnc2SCc2cn3ccccc3n2)c1
InChIInChI=1S/C19H18N4S/c1-14-6-7-15(2)17(11-14)23-10-8-20-19(23)24-13-16-12-22-9-4-3-5-18(22)21-16/h3-12H,13H2,1-2H3
InChIKeyXVDJABSXTXVVTJ-UHFFFAOYSA-N
XLogP4.43
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 38511832
8-methyl-2-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 134042086
7-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 24579827
2-[[5-[1-(2,4-dimethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19643579
7-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46814925
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17307793
3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanenitrile
CID 82132371
[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315098
4-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylbutanenitrile
CID 134042081
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19729814
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797290
2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17301322

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine (CID 38015813) is 2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine is Cc1ccc(C)c(-n2ccnc2SCc2cn3ccccc3n2)c1.
What is the InChIKey of 2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is XVDJABSXTXVVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-14-6-7-15(2)17(11-14)23-10-8-20-19(23)24-13-16-12-22-9-4-3-5-18(22)21-16/h3-12H,13H2,1-2H3.
What are the key properties of 2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine?
2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 334.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 38015813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).