6-ethenyl-1-ethyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole

C16H22N2O — CID 134560809

IUPAC6-ethenyl-1-ethyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole
SMILESC=Cc1ccc2nc(COC(C)(C)C)n(CC)c2c1
InChIInChI=1S/C16H22N2O/c1-6-12-8-9-13-14(10-12)18(7-2)15(17-13)11-19-16(3,4)5/h6,8-10H,1,7,11H2,2-5H3
InChIKeyRIBKOBHRJSWDOU-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.01
Rot. Bonds4

About 6-ethenyl-1-ethyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole

6-ethenyl-1-ethyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole (PubChem CID 134560809) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 6-ethenyl-1-ethyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole.

Molecular Properties

Compound Name6-ethenyl-1-ethyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole
PubChem CID134560809
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name6-ethenyl-1-ethyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole
SMILESC=Cc1ccc2nc(COC(C)(C)C)n(CC)c2c1
InChIInChI=1S/C16H22N2O/c1-6-12-8-9-13-14(10-12)18(7-2)15(17-13)11-19-16(3,4)5/h6,8-10H,1,7,11H2,2-5H3
InChIKeyRIBKOBHRJSWDOU-UHFFFAOYSA-N
XLogP4.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1-ethyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole?
The IUPAC name of 6-ethenyl-1-ethyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole (CID 134560809) is 6-ethenyl-1-ethyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole.
What is the SMILES notation for 6-ethenyl-1-ethyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole?
The canonical SMILES for 6-ethenyl-1-ethyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole is C=Cc1ccc2nc(COC(C)(C)C)n(CC)c2c1.
What is the InChIKey of 6-ethenyl-1-ethyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole?
The InChIKey is RIBKOBHRJSWDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-6-12-8-9-13-14(10-12)18(7-2)15(17-13)11-19-16(3,4)5/h6,8-10H,1,7,11H2,2-5H3.
What are the key properties of 6-ethenyl-1-ethyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole?
6-ethenyl-1-ethyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole has a molecular weight of 258.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1-ethyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazole is sourced from PubChem (CID 134560809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).