1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole

C24H16N6OS — CID 70267004

IUPAC1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole
SMILESO=S(c1nc2ccccc2n1-c1ccccn1)c1nc2ccccc2n1-c1ccccn1
InChIInChI=1S/C24H16N6OS/c31-32(23-27-17-9-1-3-11-19(17)29(23)21-13-5-7-15-25-21)24-28-18-10-2-4-12-20(18)30(24)22-14-6-8-16-26-22/h1-16H
InChIKeyKZBWFPLVEBCSIL-UHFFFAOYSA-N
MW436.50 g/mol
LogP4.32
Rot. Bonds4

About 1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole

1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole (PubChem CID 70267004) has the molecular formula C24H16N6OS and a molecular weight of 436.50 g/mol. Its IUPAC name is 1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole.

Molecular Properties

Compound Name1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole
PubChem CID70267004
Molecular FormulaC24H16N6OS
Molecular Weight436.50 g/mol
Exact Mass436.11
IUPAC Name1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole
SMILESO=S(c1nc2ccccc2n1-c1ccccn1)c1nc2ccccc2n1-c1ccccn1
InChIInChI=1S/C24H16N6OS/c31-32(23-27-17-9-1-3-11-19(17)29(23)21-13-5-7-15-25-21)24-28-18-10-2-4-12-20(18)30(24)22-14-6-8-16-26-22/h1-16H
InChIKeyKZBWFPLVEBCSIL-UHFFFAOYSA-N
XLogP4.32
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,2-dipyridin-2-ylbenzimidazole
CID 122179936
2-phenyl-1-pyridin-2-ylbenzimidazole
CID 134960173
2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole
CID 21050242
2-(2-methylprop-1-enyl)-1-pyridin-2-ylbenzimidazole
CID 22736660
5-pyridin-2-ylbenzimidazolo[2,1-b]quinazolin-12-one
CID 164671964
2-(1-pyridin-2-ylbenzimidazol-2-yl)ethanethioamide
CID 63637408
2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride
CID 22736743
4-methyl-5-pyridin-2-ylbenzimidazolo[1,2-a]benzimidazole
CID 148761934
2-[(E)-2-(3-methylphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;hydrochloride
CID 22736645
2-pyridin-2-yl-1-[2,4,6-trimethyl-3,5-bis(2-pyridin-2-ylbenzimidazol-1-yl)phenyl]benzimidazole
CID 89180674
2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole
CID 22736777
5-methyl-1,2-dipyridin-2-ylbenzimidazole
CID 59593999

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole?
The IUPAC name of 1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole (CID 70267004) is 1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole.
What is the SMILES notation for 1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole?
The canonical SMILES for 1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole is O=S(c1nc2ccccc2n1-c1ccccn1)c1nc2ccccc2n1-c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole?
The InChIKey is KZBWFPLVEBCSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6OS/c31-32(23-27-17-9-1-3-11-19(17)29(23)21-13-5-7-15-25-21)24-28-18-10-2-4-12-20(18)30(24)22-14-6-8-16-26-22/h1-16H.
What are the key properties of 1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole?
1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole has a molecular weight of 436.50 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-2-(1-pyridin-2-ylbenzimidazol-2-yl)sulfinylbenzimidazole is sourced from PubChem (CID 70267004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).