5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole

C20H17FN2O — CID 129161900

IUPAC5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole
SMILESCc1cccc(Cn2c(-c3ccc(C)o3)nc3cc(F)ccc32)c1
InChIInChI=1S/C20H17FN2O/c1-13-4-3-5-15(10-13)12-23-18-8-7-16(21)11-17(18)22-20(23)19-9-6-14(2)24-19/h3-11H,12H2,1-2H3
InChIKeyVYQZBSXKULHSRM-UHFFFAOYSA-N
MW320.37 g/mol
LogP5.10
Rot. Bonds3

About 5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole

5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole (PubChem CID 129161900) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole
PubChem CID129161900
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC Name5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole
SMILESCc1cccc(Cn2c(-c3ccc(C)o3)nc3cc(F)ccc32)c1
InChIInChI=1S/C20H17FN2O/c1-13-4-3-5-15(10-13)12-23-18-8-7-16(21)11-17(18)22-20(23)19-9-6-14(2)24-19/h3-11H,12H2,1-2H3
InChIKeyVYQZBSXKULHSRM-UHFFFAOYSA-N
XLogP5.10
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.37
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole?
The IUPAC name of 5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole (CID 129161900) is 5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole is Cc1cccc(Cn2c(-c3ccc(C)o3)nc3cc(F)ccc32)c1.
What is the InChIKey of 5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole?
The InChIKey is VYQZBSXKULHSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O/c1-13-4-3-5-15(10-13)12-23-18-8-7-16(21)11-17(18)22-20(23)19-9-6-14(2)24-19/h3-11H,12H2,1-2H3.
What are the key properties of 5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole?
5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole has a molecular weight of 320.37 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(5-methylfuran-2-yl)-1-[(3-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 129161900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).