3,6-dichloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

C15H10Cl2N6S — CID 1180543

IUPAC3,6-dichloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(CSc3nnnn3-c3ccccc3)c(Cl)n2c1
InChIInChI=1S/C15H10Cl2N6S/c16-10-6-7-13-18-12(14(17)22(13)8-10)9-24-15-19-20-21-23(15)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyAHYISZRBZJISJA-UHFFFAOYSA-N
MW377.26 g/mol
LogP3.91
Rot. Bonds4

About 3,6-dichloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

3,6-dichloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 1180543) has the molecular formula C15H10Cl2N6S and a molecular weight of 377.26 g/mol. Its IUPAC name is 3,6-dichloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3,6-dichloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID1180543
Molecular FormulaC15H10Cl2N6S
Molecular Weight377.26 g/mol
Exact Mass376.01
IUPAC Name3,6-dichloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(CSc3nnnn3-c3ccccc3)c(Cl)n2c1
InChIInChI=1S/C15H10Cl2N6S/c16-10-6-7-13-18-12(14(17)22(13)8-10)9-24-15-19-20-21-23(15)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyAHYISZRBZJISJA-UHFFFAOYSA-N
XLogP3.91
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3,6-dichloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 1180543) is 3,6-dichloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3,6-dichloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3,6-dichloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is Clc1ccc2nc(CSc3nnnn3-c3ccccc3)c(Cl)n2c1.
What is the InChIKey of 3,6-dichloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is AHYISZRBZJISJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N6S/c16-10-6-7-13-18-12(14(17)22(13)8-10)9-24-15-19-20-21-23(15)11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 3,6-dichloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
3,6-dichloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 377.26 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 1180543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).