2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole

C11H11BrN2S — CID 923736

IUPAC2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole
SMILESC=C(Br)CSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C11H11BrN2S/c1-7-3-4-9-10(5-7)14-11(13-9)15-6-8(2)12/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyZTKHOZVYEIIPMH-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.87
Rot. Bonds3

About 2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole

2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole (PubChem CID 923736) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole
PubChem CID923736
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole
SMILESC=C(Br)CSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C11H11BrN2S/c1-7-3-4-9-10(5-7)14-11(13-9)15-6-8(2)12/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyZTKHOZVYEIIPMH-UHFFFAOYSA-N
XLogP3.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 891266
ethyl 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-oxopropanoate
CID 69139924
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-prop-2-enylacetamide
CID 2522055
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]cyclohexan-1-ol
CID 65214051
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde
CID 62875439
2,2-dimethyl-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]propanamide
CID 2443532
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
CID 62875775
2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol
CID 64806306
2-amino-2-methyl-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butan-1-ol
CID 64806936

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole?
The IUPAC name of 2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole (CID 923736) is 2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole is C=C(Br)CSc1nc2ccc(C)cc2[nH]1.
What is the InChIKey of 2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole?
The InChIKey is ZTKHOZVYEIIPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-7-3-4-9-10(5-7)14-11(13-9)15-6-8(2)12/h3-5H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole?
2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole has a molecular weight of 283.19 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole is sourced from PubChem (CID 923736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).