methyl 4-(benzimidazol-1-yl)benzoate

C15H12N2O2 — CID 5328451

IUPACmethyl 4-(benzimidazol-1-yl)benzoate
SMILESCOC(=O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C15H12N2O2/c1-19-15(18)11-6-8-12(9-7-11)17-10-16-13-4-2-3-5-14(13)17/h2-10H,1H3
InChIKeyUSTFFLGAYQZTMH-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.81
Rot. Bonds2

About methyl 4-(benzimidazol-1-yl)benzoate

methyl 4-(benzimidazol-1-yl)benzoate (PubChem CID 5328451) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 4-(benzimidazol-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(benzimidazol-1-yl)benzoate
PubChem CID5328451
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Namemethyl 4-(benzimidazol-1-yl)benzoate
SMILESCOC(=O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C15H12N2O2/c1-19-15(18)11-6-8-12(9-7-11)17-10-16-13-4-2-3-5-14(13)17/h2-10H,1H3
InChIKeyUSTFFLGAYQZTMH-UHFFFAOYSA-N
XLogP2.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(benzimidazol-1-yl)benzoate?
The IUPAC name of methyl 4-(benzimidazol-1-yl)benzoate (CID 5328451) is methyl 4-(benzimidazol-1-yl)benzoate.
What is the SMILES notation for methyl 4-(benzimidazol-1-yl)benzoate?
The canonical SMILES for methyl 4-(benzimidazol-1-yl)benzoate is COC(=O)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of methyl 4-(benzimidazol-1-yl)benzoate?
The InChIKey is USTFFLGAYQZTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-15(18)11-6-8-12(9-7-11)17-10-16-13-4-2-3-5-14(13)17/h2-10H,1H3.
What are the key properties of methyl 4-(benzimidazol-1-yl)benzoate?
methyl 4-(benzimidazol-1-yl)benzoate has a molecular weight of 252.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(benzimidazol-1-yl)benzoate is sourced from PubChem (CID 5328451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).