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

C17H16N2O3 — CID 58917360

IUPACmethyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C17H16N2O3/c1-19-15-6-4-3-5-14(15)18-16(19)11-22-13-9-7-12(8-10-13)17(20)21-2/h3-10H,11H2,1-2H3
InChIKeyQUQSEFPMHWPIRI-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.94
Rot. Bonds4

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

methyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate (PubChem CID 58917360) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate
PubChem CID58917360
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namemethyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C17H16N2O3/c1-19-15-6-4-3-5-14(15)18-16(19)11-22-13-9-7-12(8-10-13)17(20)21-2/h3-10H,11H2,1-2H3
InChIKeyQUQSEFPMHWPIRI-UHFFFAOYSA-N
XLogP2.94
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate?
The IUPAC name of methyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate (CID 58917360) is methyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate.
What is the SMILES notation for methyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate?
The canonical SMILES for methyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate is COC(=O)c1ccc(OCc2nc3ccccc3n2C)cc1.
What is the InChIKey of methyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate?
The InChIKey is QUQSEFPMHWPIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-19-15-6-4-3-5-14(15)18-16(19)11-22-13-9-7-12(8-10-13)17(20)21-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate?
methyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate has a molecular weight of 296.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoate is sourced from PubChem (CID 58917360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).