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

C16H12FN5O — CID 753157

IUPAC4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C16H12FN5O/c17-11-6-2-1-5-10(11)9-22-13-8-4-3-7-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,9H2,(H2,18,21)
InChIKeyKKRITRGZHRKHJY-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.86
Rot. Bonds3

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

4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 753157) has the molecular formula C16H12FN5O and a molecular weight of 309.30 g/mol. Its IUPAC name is 4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID753157
Molecular FormulaC16H12FN5O
Molecular Weight309.30 g/mol
Exact Mass309.10
IUPAC Name4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C16H12FN5O/c17-11-6-2-1-5-10(11)9-22-13-8-4-3-7-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,9H2,(H2,18,21)
InChIKeyKKRITRGZHRKHJY-UHFFFAOYSA-N
XLogP2.86
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 753157) is 4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is KKRITRGZHRKHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O/c17-11-6-2-1-5-10(11)9-22-13-8-4-3-7-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,9H2,(H2,18,21).
What are the key properties of 4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 309.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 753157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).