2-ethylsulfanyl-6-methyl-1H-benzimidazole

C10H12N2S — CID 923755

IUPAC2-ethylsulfanyl-6-methyl-1H-benzimidazole
SMILESCCSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C10H12N2S/c1-3-13-10-11-8-5-4-7(2)6-9(8)12-10/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyDFRHBUFOZJREHX-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.98
Rot. Bonds2

About 2-ethylsulfanyl-6-methyl-1H-benzimidazole

2-ethylsulfanyl-6-methyl-1H-benzimidazole (PubChem CID 923755) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-ethylsulfanyl-6-methyl-1H-benzimidazole
PubChem CID923755
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name2-ethylsulfanyl-6-methyl-1H-benzimidazole
SMILESCCSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C10H12N2S/c1-3-13-10-11-8-5-4-7(2)6-9(8)12-10/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyDFRHBUFOZJREHX-UHFFFAOYSA-N
XLogP2.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde
CID 62875439
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole
CID 923736
2-(2-azidoethylsulfanyl)-6-methyl-1H-benzimidazole
CID 62874259
N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 891266
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
2-methyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanenitrile
CID 60656440
2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol
CID 64806306
4-methyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]aniline
CID 63517780
ethyl 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoate
CID 62875441

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-methyl-1H-benzimidazole?
The IUPAC name of 2-ethylsulfanyl-6-methyl-1H-benzimidazole (CID 923755) is 2-ethylsulfanyl-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-ethylsulfanyl-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-ethylsulfanyl-6-methyl-1H-benzimidazole is CCSc1nc2ccc(C)cc2[nH]1.
What is the InChIKey of 2-ethylsulfanyl-6-methyl-1H-benzimidazole?
The InChIKey is DFRHBUFOZJREHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-3-13-10-11-8-5-4-7(2)6-9(8)12-10/h4-6H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-ethylsulfanyl-6-methyl-1H-benzimidazole?
2-ethylsulfanyl-6-methyl-1H-benzimidazole has a molecular weight of 192.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-methyl-1H-benzimidazole is sourced from PubChem (CID 923755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).