1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole

C13H10N8S — CID 135230188

IUPAC1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole
SMILESCn1nnnc1-n1c(Sc2ncccn2)nc2ccccc21
InChIInChI=1S/C13H10N8S/c1-20-12(17-18-19-20)21-10-6-3-2-5-9(10)16-13(21)22-11-14-7-4-8-15-11/h2-8H,1H3
InChIKeySVWGTKJQOJUYRA-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.49
Rot. Bonds3

About 1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole

1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole (PubChem CID 135230188) has the molecular formula C13H10N8S and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole.

Molecular Properties

Compound Name1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole
PubChem CID135230188
Molecular FormulaC13H10N8S
Molecular Weight310.35 g/mol
Exact Mass310.07
IUPAC Name1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole
SMILESCn1nnnc1-n1c(Sc2ncccn2)nc2ccccc21
InChIInChI=1S/C13H10N8S/c1-20-12(17-18-19-20)21-10-6-3-2-5-9(10)16-13(21)22-11-14-7-4-8-15-11/h2-8H,1H3
InChIKeySVWGTKJQOJUYRA-UHFFFAOYSA-N
XLogP1.49
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole?
The IUPAC name of 1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole (CID 135230188) is 1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole.
What is the SMILES notation for 1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole?
The canonical SMILES for 1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole is Cn1nnnc1-n1c(Sc2ncccn2)nc2ccccc21.
What is the InChIKey of 1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole?
The InChIKey is SVWGTKJQOJUYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N8S/c1-20-12(17-18-19-20)21-10-6-3-2-5-9(10)16-13(21)22-11-14-7-4-8-15-11/h2-8H,1H3.
What are the key properties of 1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole?
1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole has a molecular weight of 310.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltetrazol-5-yl)-2-pyrimidin-2-ylsulfanylbenzimidazole is sourced from PubChem (CID 135230188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).