2-(phenoxymethyl)-1-propylbenzimidazole

C17H18N2O — CID 921242

IUPAC2-(phenoxymethyl)-1-propylbenzimidazole
SMILESCCCn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H18N2O/c1-2-12-19-16-11-7-6-10-15(16)18-17(19)13-20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKeyCKPRUKDIMJMZQD-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.03
Rot. Bonds5

About 2-(phenoxymethyl)-1-propylbenzimidazole

2-(phenoxymethyl)-1-propylbenzimidazole (PubChem CID 921242) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(phenoxymethyl)-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(phenoxymethyl)-1-propylbenzimidazole
PubChem CID921242
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(phenoxymethyl)-1-propylbenzimidazole
SMILESCCCn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H18N2O/c1-2-12-19-16-11-7-6-10-15(16)18-17(19)13-20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKeyCKPRUKDIMJMZQD-UHFFFAOYSA-N
XLogP4.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-1-propylbenzimidazole?
The IUPAC name of 2-(phenoxymethyl)-1-propylbenzimidazole (CID 921242) is 2-(phenoxymethyl)-1-propylbenzimidazole.
What is the SMILES notation for 2-(phenoxymethyl)-1-propylbenzimidazole?
The canonical SMILES for 2-(phenoxymethyl)-1-propylbenzimidazole is CCCn1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(phenoxymethyl)-1-propylbenzimidazole?
The InChIKey is CKPRUKDIMJMZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-12-19-16-11-7-6-10-15(16)18-17(19)13-20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3.
What are the key properties of 2-(phenoxymethyl)-1-propylbenzimidazole?
2-(phenoxymethyl)-1-propylbenzimidazole has a molecular weight of 266.34 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-1-propylbenzimidazole is sourced from PubChem (CID 921242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).