methyl 4-(1H-benzimidazol-2-yl)benzoate

C15H12N2O2 — CID 2328806

IUPACmethyl 4-(1H-benzimidazol-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H12N2O2/c1-19-15(18)11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-9H,1H3,(H,16,17)
InChIKeyXVXVUZIONWAVTF-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.02
Rot. Bonds2

About methyl 4-(1H-benzimidazol-2-yl)benzoate

methyl 4-(1H-benzimidazol-2-yl)benzoate (PubChem CID 2328806) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 4-(1H-benzimidazol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1H-benzimidazol-2-yl)benzoate
PubChem CID2328806
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Namemethyl 4-(1H-benzimidazol-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H12N2O2/c1-19-15(18)11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-9H,1H3,(H,16,17)
InChIKeyXVXVUZIONWAVTF-UHFFFAOYSA-N
XLogP3.02
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1H-benzimidazol-2-yl)benzoate?
The IUPAC name of methyl 4-(1H-benzimidazol-2-yl)benzoate (CID 2328806) is methyl 4-(1H-benzimidazol-2-yl)benzoate.
What is the SMILES notation for methyl 4-(1H-benzimidazol-2-yl)benzoate?
The canonical SMILES for methyl 4-(1H-benzimidazol-2-yl)benzoate is COC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of methyl 4-(1H-benzimidazol-2-yl)benzoate?
The InChIKey is XVXVUZIONWAVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-15(18)11-8-6-10(7-9-11)14-16-12-4-2-3-5-13(12)17-14/h2-9H,1H3,(H,16,17).
What are the key properties of methyl 4-(1H-benzimidazol-2-yl)benzoate?
methyl 4-(1H-benzimidazol-2-yl)benzoate has a molecular weight of 252.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1H-benzimidazol-2-yl)benzoate is sourced from PubChem (CID 2328806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).