5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]-1H-benzimidazole

C20H18N4S — CID 1432656

IUPAC5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]-1H-benzimidazole
SMILESCc1cc2nc(-c3ccc(SCc4ccccn4)nc3)[nH]c2cc1C
InChIInChI=1S/C20H18N4S/c1-13-9-17-18(10-14(13)2)24-20(23-17)15-6-7-19(22-11-15)25-12-16-5-3-4-8-21-16/h3-11H,12H2,1-2H3,(H,23,24)
InChIKeyDYYUAWRNKOGENE-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.93
Rot. Bonds4

About 5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]-1H-benzimidazole

5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]-1H-benzimidazole (PubChem CID 1432656) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is 5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]-1H-benzimidazole
PubChem CID1432656
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC Name5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]-1H-benzimidazole
SMILESCc1cc2nc(-c3ccc(SCc4ccccn4)nc3)[nH]c2cc1C
InChIInChI=1S/C20H18N4S/c1-13-9-17-18(10-14(13)2)24-20(23-17)15-6-7-19(22-11-15)25-12-16-5-3-4-8-21-16/h3-11H,12H2,1-2H3,(H,23,24)
InChIKeyDYYUAWRNKOGENE-UHFFFAOYSA-N
XLogP4.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]-1H-benzimidazole (CID 1432656) is 5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]-1H-benzimidazole is Cc1cc2nc(-c3ccc(SCc4ccccn4)nc3)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]-1H-benzimidazole?
The InChIKey is DYYUAWRNKOGENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4S/c1-13-9-17-18(10-14(13)2)24-20(23-17)15-6-7-19(22-11-15)25-12-16-5-3-4-8-21-16/h3-11H,12H2,1-2H3,(H,23,24).
What are the key properties of 5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]-1H-benzimidazole?
5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]-1H-benzimidazole has a molecular weight of 346.46 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)-3-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 1432656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).