2-(furan-2-yl)-3-methylbenzo[f]benzimidazole

C16H12N2O — CID 649492

IUPAC2-(furan-2-yl)-3-methylbenzo[f]benzimidazole
SMILESCn1c(-c2ccco2)nc2cc3ccccc3cc21
InChIInChI=1S/C16H12N2O/c1-18-14-10-12-6-3-2-5-11(12)9-13(14)17-16(18)15-7-4-8-19-15/h2-10H,1H3
InChIKeyJBKWIIRGZGWOGD-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.99
Rot. Bonds1

About 2-(furan-2-yl)-3-methylbenzo[f]benzimidazole

2-(furan-2-yl)-3-methylbenzo[f]benzimidazole (PubChem CID 649492) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-methylbenzo[f]benzimidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-3-methylbenzo[f]benzimidazole
PubChem CID649492
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name2-(furan-2-yl)-3-methylbenzo[f]benzimidazole
SMILESCn1c(-c2ccco2)nc2cc3ccccc3cc21
InChIInChI=1S/C16H12N2O/c1-18-14-10-12-6-3-2-5-11(12)9-13(14)17-16(18)15-7-4-8-19-15/h2-10H,1H3
InChIKeyJBKWIIRGZGWOGD-UHFFFAOYSA-N
XLogP3.99
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-methylbenzo[f]benzimidazole?
The IUPAC name of 2-(furan-2-yl)-3-methylbenzo[f]benzimidazole (CID 649492) is 2-(furan-2-yl)-3-methylbenzo[f]benzimidazole.
What is the SMILES notation for 2-(furan-2-yl)-3-methylbenzo[f]benzimidazole?
The canonical SMILES for 2-(furan-2-yl)-3-methylbenzo[f]benzimidazole is Cn1c(-c2ccco2)nc2cc3ccccc3cc21.
What is the InChIKey of 2-(furan-2-yl)-3-methylbenzo[f]benzimidazole?
The InChIKey is JBKWIIRGZGWOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-18-14-10-12-6-3-2-5-11(12)9-13(14)17-16(18)15-7-4-8-19-15/h2-10H,1H3.
What are the key properties of 2-(furan-2-yl)-3-methylbenzo[f]benzimidazole?
2-(furan-2-yl)-3-methylbenzo[f]benzimidazole has a molecular weight of 248.29 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-methylbenzo[f]benzimidazole is sourced from PubChem (CID 649492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).