propyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate

C19H20N2O3 — CID 71563194

IUPACpropyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C19H20N2O3/c1-3-12-23-19(22)14-8-10-15(11-9-14)24-13-18-20-16-6-4-5-7-17(16)21(18)2/h4-11H,3,12-13H2,1-2H3
InChIKeyJFGLDSWTDDCNJL-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.72
Rot. Bonds6

About propyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate

propyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate (PubChem CID 71563194) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is propyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate.

Molecular Properties

Compound Namepropyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate
PubChem CID71563194
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namepropyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C19H20N2O3/c1-3-12-23-19(22)14-8-10-15(11-9-14)24-13-18-20-16-6-4-5-7-17(16)21(18)2/h4-11H,3,12-13H2,1-2H3
InChIKeyJFGLDSWTDDCNJL-UHFFFAOYSA-N
XLogP3.72
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate?
The IUPAC name of propyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate (CID 71563194) is propyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate.
What is the SMILES notation for propyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate?
The canonical SMILES for propyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate is CCCOC(=O)c1ccc(OCc2nc3ccccc3n2C)cc1.
What is the InChIKey of propyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate?
The InChIKey is JFGLDSWTDDCNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-12-23-19(22)14-8-10-15(11-9-14)24-13-18-20-16-6-4-5-7-17(16)21(18)2/h4-11H,3,12-13H2,1-2H3.
What are the key properties of propyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate?
propyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate has a molecular weight of 324.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate is sourced from PubChem (CID 71563194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).