6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole

C15H12N4S — CID 71321593

IUPAC6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole
SMILESCc1nc2ccc(Sc3nc4ccccc4[nH]3)cc2[nH]1
InChIInChI=1S/C15H12N4S/c1-9-16-13-7-6-10(8-14(13)17-9)20-15-18-11-4-2-3-5-12(11)19-15/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyKXNAJKJYSUQCGU-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.90
Rot. Bonds2

About 6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole

6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole (PubChem CID 71321593) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole
PubChem CID71321593
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole
SMILESCc1nc2ccc(Sc3nc4ccccc4[nH]3)cc2[nH]1
InChIInChI=1S/C15H12N4S/c1-9-16-13-7-6-10(8-14(13)17-9)20-15-18-11-4-2-3-5-12(11)19-15/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyKXNAJKJYSUQCGU-UHFFFAOYSA-N
XLogP3.90
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1H-benzimidazole
CID 11984
2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole
CID 170127062
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 779801
methanamine;2-methyl-1H-benzimidazole
CID 143453689
2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
CID 177375670
ethane;2-methyl-1H-benzimidazole;molecular hydrogen
CID 166167875
5-(1H-benzimidazol-2-ylsulfanyl)-3-methylbenzene-1,2-diol
CID 139213863
ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine
CID 156727544
2-amino-4-(1H-benzimidazol-2-ylsulfanyl)benzenesulfonamide
CID 79466724
1H-benzimidazol-2-yl thiohypoiodite
CID 142014861
2-[4-(benzenesulfonyl)phenyl]sulfanyl-1H-benzimidazole
CID 23735300
1-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]propan-2-amine
CID 63819118

Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole?
The IUPAC name of 6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole (CID 71321593) is 6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole.
What is the SMILES notation for 6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole?
The canonical SMILES for 6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole is Cc1nc2ccc(Sc3nc4ccccc4[nH]3)cc2[nH]1.
What is the InChIKey of 6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole?
The InChIKey is KXNAJKJYSUQCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S/c1-9-16-13-7-6-10(8-14(13)17-9)20-15-18-11-4-2-3-5-12(11)19-15/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole?
6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole has a molecular weight of 280.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole is sourced from PubChem (CID 71321593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).