5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole

C15H12F2N2O — CID 102940721

IUPAC5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole
SMILESFc1cc2ncn(COCc3ccccc3)c2cc1F
InChIInChI=1S/C15H12F2N2O/c16-12-6-14-15(7-13(12)17)19(9-18-14)10-20-8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeySXPKUIWWLNEDNR-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.49
Rot. Bonds4

About 5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole

5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole (PubChem CID 102940721) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole
PubChem CID102940721
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole
SMILESFc1cc2ncn(COCc3ccccc3)c2cc1F
InChIInChI=1S/C15H12F2N2O/c16-12-6-14-15(7-13(12)17)19(9-18-14)10-20-8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeySXPKUIWWLNEDNR-UHFFFAOYSA-N
XLogP3.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole?
The IUPAC name of 5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole (CID 102940721) is 5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole.
What is the SMILES notation for 5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole?
The canonical SMILES for 5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole is Fc1cc2ncn(COCc3ccccc3)c2cc1F.
What is the InChIKey of 5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole?
The InChIKey is SXPKUIWWLNEDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c16-12-6-14-15(7-13(12)17)19(9-18-14)10-20-8-11-4-2-1-3-5-11/h1-7,9H,8,10H2.
What are the key properties of 5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole?
5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole has a molecular weight of 274.27 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-(phenylmethoxymethyl)benzimidazole is sourced from PubChem (CID 102940721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).