1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole

C13H13N5S2 — CID 22507050

IUPAC1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole
SMILESCSc1nc(SC)nc(-n2c(C)nc3ccccc32)n1
InChIInChI=1S/C13H13N5S2/c1-8-14-9-6-4-5-7-10(9)18(8)11-15-12(19-2)17-13(16-11)20-3/h4-7H,1-3H3
InChIKeyCWIDDVRWLHEEIG-UHFFFAOYSA-N
MW303.42 g/mol
LogP2.96
Rot. Bonds3

About 1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole

1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole (PubChem CID 22507050) has the molecular formula C13H13N5S2 and a molecular weight of 303.42 g/mol. Its IUPAC name is 1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole
PubChem CID22507050
Molecular FormulaC13H13N5S2
Molecular Weight303.42 g/mol
Exact Mass303.06
IUPAC Name1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole
SMILESCSc1nc(SC)nc(-n2c(C)nc3ccccc32)n1
InChIInChI=1S/C13H13N5S2/c1-8-14-9-6-4-5-7-10(9)18(8)11-15-12(19-2)17-13(16-11)20-3/h4-7H,1-3H3
InChIKeyCWIDDVRWLHEEIG-UHFFFAOYSA-N
XLogP2.96
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole
CID 79754202
2-(2-methylbenzimidazol-1-yl)quinoxaline
CID 79751969
1-(2-bromophenyl)-2-methylbenzimidazole
CID 168938830
1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole
CID 106999991
1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole
CID 112676678
2-methyl-1-(5-methyl-2-pyridinyl)benzimidazole
CID 79753476
2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole
CID 79753561
5-(4-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 151304160
2-methyl-1-[4-(2-methyl-3a,7a-dihydrobenzimidazol-1-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]benzimidazole
CID 71152493
ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole
CID 90736229
(2-methylbenzimidazol-1-yl) thiohypofluorite
CID 142077046
9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole
CID 162427993

Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole?
The IUPAC name of 1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole (CID 22507050) is 1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole?
The canonical SMILES for 1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole is CSc1nc(SC)nc(-n2c(C)nc3ccccc32)n1.
What is the InChIKey of 1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole?
The InChIKey is CWIDDVRWLHEEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S2/c1-8-14-9-6-4-5-7-10(9)18(8)11-15-12(19-2)17-13(16-11)20-3/h4-7H,1-3H3.
What are the key properties of 1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole?
1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole has a molecular weight of 303.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole is sourced from PubChem (CID 22507050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).