(1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate

C17H12N2O3 — CID 71790638

IUPAC(1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate
SMILESCn1cnc2cc(OC(=O)c3cc4ccccc4o3)ccc21
InChIInChI=1S/C17H12N2O3/c1-19-10-18-13-9-12(6-7-14(13)19)21-17(20)16-8-11-4-2-3-5-15(11)22-16/h2-10H,1H3
InChIKeyCBADXIBMLMDVDV-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.54
Rot. Bonds2

About (1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate

(1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate (PubChem CID 71790638) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate
PubChem CID71790638
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name(1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate
SMILESCn1cnc2cc(OC(=O)c3cc4ccccc4o3)ccc21
InChIInChI=1S/C17H12N2O3/c1-19-10-18-13-9-12(6-7-14(13)19)21-17(20)16-8-11-4-2-3-5-15(11)22-16/h2-10H,1H3
InChIKeyCBADXIBMLMDVDV-UHFFFAOYSA-N
XLogP3.54
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate?
The IUPAC name of (1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate (CID 71790638) is (1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate.
What is the SMILES notation for (1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate?
The canonical SMILES for (1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate is Cn1cnc2cc(OC(=O)c3cc4ccccc4o3)ccc21.
What is the InChIKey of (1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate?
The InChIKey is CBADXIBMLMDVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c1-19-10-18-13-9-12(6-7-14(13)19)21-17(20)16-8-11-4-2-3-5-15(11)22-16/h2-10H,1H3.
What are the key properties of (1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate?
(1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate has a molecular weight of 292.29 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate is sourced from PubChem (CID 71790638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).