2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole

C13H18N2S — CID 116622472

IUPAC2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole
SMILESCCSCCn1c(CC)nc2ccccc21
InChIInChI=1S/C13H18N2S/c1-3-13-14-11-7-5-6-8-12(11)15(13)9-10-16-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyRLAOXMXRDSYKPU-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.35
Rot. Bonds5

About 2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole

2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole (PubChem CID 116622472) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole
PubChem CID116622472
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole
SMILESCCSCCn1c(CC)nc2ccccc21
InChIInChI=1S/C13H18N2S/c1-3-13-14-11-7-5-6-8-12(11)15(13)9-10-16-4-2/h5-8H,3-4,9-10H2,1-2H3
InChIKeyRLAOXMXRDSYKPU-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
1-(3-ethylsulfanylpropyl)-2-(methylsulfonylmethyl)benzimidazole
CID 84584744
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 115571125
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole
CID 63664998
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N-ethyl-N-[(2-ethylbenzimidazol-1-yl)methyl]ethanamine
CID 54753686
2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole
CID 122190742
2-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazole
CID 116626955
6-(2-ethylbenzimidazol-1-yl)hexan-2-amine
CID 63107097

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole?
The IUPAC name of 2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole (CID 116622472) is 2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole.
What is the SMILES notation for 2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole?
The canonical SMILES for 2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole is CCSCCn1c(CC)nc2ccccc21.
What is the InChIKey of 2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole?
The InChIKey is RLAOXMXRDSYKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-3-13-14-11-7-5-6-8-12(11)15(13)9-10-16-4-2/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole?
2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole has a molecular weight of 234.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole is sourced from PubChem (CID 116622472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).