2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole

C13H12N4S — CID 779801

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole
SMILESCc1cc(C)nc(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C13H12N4S/c1-8-7-9(2)15-12(14-8)18-13-16-10-5-3-4-6-11(10)17-13/h3-7H,1-2H3,(H,16,17)
InChIKeyRQPDRYPBHIHXAU-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.12
Rot. Bonds2

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole (PubChem CID 779801) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole
PubChem CID779801
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole
SMILESCc1cc(C)nc(Sc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C13H12N4S/c1-8-7-9(2)15-12(14-8)18-13-16-10-5-3-4-6-11(10)17-13/h3-7H,1-2H3,(H,16,17)
InChIKeyRQPDRYPBHIHXAU-UHFFFAOYSA-N
XLogP3.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3H-benzimidazol-5-amine
CID 61372787
6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole
CID 71321593
4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
CID 80883757
1H-benzimidazol-2-yl thiohypoiodite
CID 142014861
2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
CID 177375670
5-(1H-benzimidazol-2-ylsulfanyl)-3-methylbenzene-1,2-diol
CID 139213863
4-(1H-benzimidazol-2-ylsulfanyl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80920631
6-(1H-benzimidazol-2-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine
CID 80883058
2-(1H-benzimidazol-2-ylsulfanyl)pyrimidine-5-carbaldehyde
CID 113388621
2-(5-bromo-4-methoxypyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 106999419
2-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 102752249
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-6-methylpyrimidine-4-carbonitrile
CID 107551332

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole (CID 779801) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole is Cc1cc(C)nc(Sc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole?
The InChIKey is RQPDRYPBHIHXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-8-7-9(2)15-12(14-8)18-13-16-10-5-3-4-6-11(10)17-13/h3-7H,1-2H3,(H,16,17).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole has a molecular weight of 256.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole is sourced from PubChem (CID 779801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).