3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole

C18H15FN4O — CID 16615330

IUPAC3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cc2nc3ccccc3n2Cc2ccccc2F)no1
InChIInChI=1S/C18H15FN4O/c1-12-20-17(22-24-12)10-18-21-15-8-4-5-9-16(15)23(18)11-13-6-2-3-7-14(13)19/h2-9H,10-11H2,1H3
InChIKeyITEMHOZGNGFEAY-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.51
Rot. Bonds4

About 3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole

3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 16615330) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID16615330
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cc2nc3ccccc3n2Cc2ccccc2F)no1
InChIInChI=1S/C18H15FN4O/c1-12-20-17(22-24-12)10-18-21-15-8-4-5-9-16(15)23(18)11-13-6-2-3-7-14(13)19/h2-9H,10-11H2,1H3
InChIKeyITEMHOZGNGFEAY-UHFFFAOYSA-N
XLogP3.51
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 16615330) is 3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(Cc2nc3ccccc3n2Cc2ccccc2F)no1.
What is the InChIKey of 3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is ITEMHOZGNGFEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-12-20-17(22-24-12)10-18-21-15-8-4-5-9-16(15)23(18)11-13-6-2-3-7-14(13)19/h2-9H,10-11H2,1H3.
What are the key properties of 3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 322.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 16615330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).