2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole

C11H14N2OS — CID 18811154

IUPAC2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole
SMILESCOCCSCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H14N2OS/c1-14-6-7-15-8-11-12-9-4-2-3-5-10(9)13-11/h2-5H,6-8H2,1H3,(H,12,13)
InChIKeyWKLRFDVSBMLIMJ-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.44
Rot. Bonds5

About 2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole

2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole (PubChem CID 18811154) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole
PubChem CID18811154
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole
SMILESCOCCSCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H14N2OS/c1-14-6-7-15-8-11-12-9-4-2-3-5-10(9)13-11/h2-5H,6-8H2,1H3,(H,12,13)
InChIKeyWKLRFDVSBMLIMJ-UHFFFAOYSA-N
XLogP2.44
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethylsulfanyl]ethylsulfanylmethyl]-1H-benzimidazole
CID 13163511
3-(1H-benzimidazol-2-ylmethylsulfanyl)propan-1-amine
CID 66220038
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide
CID 39489394
2-(prop-2-ynylsulfanylmethyl)-1H-benzimidazole
CID 18879570
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1H-benzimidazole
CID 66737942
2-[(4-methylphenyl)methylsulfanylmethyl]-1H-benzimidazole
CID 954581
ethyl 2-(1H-benzimidazol-2-ylmethylsulfanyl)acetate
CID 47117793
N-(1H-benzimidazol-2-ylmethyl)-3-methoxypropan-1-amine
CID 83961851
2-[[(2S)-butan-2-yl]sulfanylmethyl]-1H-benzimidazole
CID 886868
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 583439
2-[3-[3-(1H-benzimidazol-2-yl)propyldisulfanyl]propyl]-1H-benzimidazole
CID 14761294

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole?
The IUPAC name of 2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole (CID 18811154) is 2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole is COCCSCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole?
The InChIKey is WKLRFDVSBMLIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-14-6-7-15-8-11-12-9-4-2-3-5-10(9)13-11/h2-5H,6-8H2,1H3,(H,12,13).
What are the key properties of 2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole?
2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole has a molecular weight of 222.31 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanylmethyl)-1H-benzimidazole is sourced from PubChem (CID 18811154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).