1-ethyl-2-[(4-methylphenyl)sulfonylmethyl]benzimidazole

C17H18N2O2S — CID 102262987

IUPAC1-ethyl-2-[(4-methylphenyl)sulfonylmethyl]benzimidazole
SMILESCCn1c(CS(=O)(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C17H18N2O2S/c1-3-19-16-7-5-4-6-15(16)18-17(19)12-22(20,21)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3
InChIKeyVPOFMSMRQRQNFL-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.34
Rot. Bonds4

About 1-ethyl-2-[(4-methylphenyl)sulfonylmethyl]benzimidazole

1-ethyl-2-[(4-methylphenyl)sulfonylmethyl]benzimidazole (PubChem CID 102262987) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-ethyl-2-[(4-methylphenyl)sulfonylmethyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[(4-methylphenyl)sulfonylmethyl]benzimidazole
PubChem CID102262987
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name1-ethyl-2-[(4-methylphenyl)sulfonylmethyl]benzimidazole
SMILESCCn1c(CS(=O)(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C17H18N2O2S/c1-3-19-16-7-5-4-6-15(16)18-17(19)12-22(20,21)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3
InChIKeyVPOFMSMRQRQNFL-UHFFFAOYSA-N
XLogP3.34
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17471163
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
CID 59065201
CID 59065201
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-ethyl-2-[[4-(4-methylphenyl)piperazin-1-ium-1-yl]methyl]benzimidazole
CID 7005253
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 47145524
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1-ethyl-2-pentylbenzimidazole
CID 3463966
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-methylphenyl)sulfonylmethyl]benzimidazole?
The IUPAC name of 1-ethyl-2-[(4-methylphenyl)sulfonylmethyl]benzimidazole (CID 102262987) is 1-ethyl-2-[(4-methylphenyl)sulfonylmethyl]benzimidazole.
What is the SMILES notation for 1-ethyl-2-[(4-methylphenyl)sulfonylmethyl]benzimidazole?
The canonical SMILES for 1-ethyl-2-[(4-methylphenyl)sulfonylmethyl]benzimidazole is CCn1c(CS(=O)(=O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-[(4-methylphenyl)sulfonylmethyl]benzimidazole?
The InChIKey is VPOFMSMRQRQNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-3-19-16-7-5-4-6-15(16)18-17(19)12-22(20,21)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-2-[(4-methylphenyl)sulfonylmethyl]benzimidazole?
1-ethyl-2-[(4-methylphenyl)sulfonylmethyl]benzimidazole has a molecular weight of 314.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(4-methylphenyl)sulfonylmethyl]benzimidazole is sourced from PubChem (CID 102262987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).