2-(phenoxymethyl)-1-propan-2-ylbenzimidazole

C17H18N2O — CID 687914

IUPAC2-(phenoxymethyl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H18N2O/c1-13(2)19-16-11-7-6-10-15(16)18-17(19)12-20-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyVDAZLTRWMOIKGN-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.20
Rot. Bonds4

About 2-(phenoxymethyl)-1-propan-2-ylbenzimidazole

2-(phenoxymethyl)-1-propan-2-ylbenzimidazole (PubChem CID 687914) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(phenoxymethyl)-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-(phenoxymethyl)-1-propan-2-ylbenzimidazole
PubChem CID687914
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(phenoxymethyl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H18N2O/c1-13(2)19-16-11-7-6-10-15(16)18-17(19)12-20-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyVDAZLTRWMOIKGN-UHFFFAOYSA-N
XLogP4.20
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-(phenoxymethyl)-1-propan-2-ylbenzimidazole (CID 687914) is 2-(phenoxymethyl)-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-(phenoxymethyl)-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-(phenoxymethyl)-1-propan-2-ylbenzimidazole is CC(C)n1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(phenoxymethyl)-1-propan-2-ylbenzimidazole?
The InChIKey is VDAZLTRWMOIKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13(2)19-16-11-7-6-10-15(16)18-17(19)12-20-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-(phenoxymethyl)-1-propan-2-ylbenzimidazole?
2-(phenoxymethyl)-1-propan-2-ylbenzimidazole has a molecular weight of 266.34 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 687914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).