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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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).