3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine

C21H15ClN6S — CID 4839922

IUPAC3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine
SMILESClc1ccc(-n2nnnc2SCc2c(-c3ccccc3)nc3ccccn23)cc1
InChIInChI=1S/C21H15ClN6S/c22-16-9-11-17(12-10-16)28-21(24-25-26-28)29-14-18-20(15-6-2-1-3-7-15)23-19-8-4-5-13-27(18)19/h1-13H,14H2
InChIKeyXOADMVLGFMISCX-UHFFFAOYSA-N
MW418.91 g/mol
LogP4.92
Rot. Bonds5

About 3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine

3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine (PubChem CID 4839922) has the molecular formula C21H15ClN6S and a molecular weight of 418.91 g/mol. Its IUPAC name is 3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine
PubChem CID4839922
Molecular FormulaC21H15ClN6S
Molecular Weight418.91 g/mol
Exact Mass418.08
IUPAC Name3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine
SMILESClc1ccc(-n2nnnc2SCc2c(-c3ccccc3)nc3ccccn23)cc1
InChIInChI=1S/C21H15ClN6S/c22-16-9-11-17(12-10-16)28-21(24-25-26-28)29-14-18-20(15-6-2-1-3-7-15)23-19-8-4-5-13-27(18)19/h1-13H,14H2
InChIKeyXOADMVLGFMISCX-UHFFFAOYSA-N
XLogP4.92
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 687533
4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 9330004
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-phenyltetrazole
CID 7695789
5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole
CID 7856912
1-(4-chlorophenyl)-5-(3-phenylprop-2-ynylsulfanyl)tetrazole
CID 134065651
3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 35164812
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 2610496
5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
CID 1414498
3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 1391204
(2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
CID 15455971
1-(4-chlorophenyl)-5-(2-methylprop-2-enylsulfanyl)tetrazole
CID 47095766

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine (CID 4839922) is 3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine is Clc1ccc(-n2nnnc2SCc2c(-c3ccccc3)nc3ccccn23)cc1.
What is the InChIKey of 3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine?
The InChIKey is XOADMVLGFMISCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN6S/c22-16-9-11-17(12-10-16)28-21(24-25-26-28)29-14-18-20(15-6-2-1-3-7-15)23-19-8-4-5-13-27(18)19/h1-13H,14H2.
What are the key properties of 3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine?
3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine has a molecular weight of 418.91 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 4839922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).