1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole

C15H22N2O2S — CID 103710309

IUPAC1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H22N2O2S/c1-5-14-16-12-8-6-7-9-13(12)17(14)10-11-20(18,19)15(2,3)4/h6-9H,5,10-11H2,1-4H3
InChIKeyDKIHCGLHGPYGHG-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.81
Rot. Bonds4

About 1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole

1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole (PubChem CID 103710309) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole
PubChem CID103710309
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H22N2O2S/c1-5-14-16-12-8-6-7-9-13(12)17(14)10-11-20(18,19)15(2,3)4/h6-9H,5,10-11H2,1-4H3
InChIKeyDKIHCGLHGPYGHG-UHFFFAOYSA-N
XLogP2.81
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-dimethylbutyl)-2-ethylbenzimidazole
CID 115582370
N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline
CID 63105255
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
2-amino-4-(2-ethylbenzimidazol-1-yl)-2-methylbutan-1-ol
CID 64809415
3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide
CID 154814647
2-ethyl-1-(2-ethylsulfanylethyl)benzimidazole
CID 116622472
N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine
CID 63106717
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
2-[1-(2-ethylsulfonylethyl)benzimidazol-2-yl]ethanethioamide
CID 63636716
2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 115571125

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole (CID 103710309) is 1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole is CCc1nc2ccccc2n1CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole?
The InChIKey is DKIHCGLHGPYGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-14-16-12-8-6-7-9-13(12)17(14)10-11-20(18,19)15(2,3)4/h6-9H,5,10-11H2,1-4H3.
What are the key properties of 1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole?
1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole has a molecular weight of 294.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-2-ethylbenzimidazole is sourced from PubChem (CID 103710309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).