2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole

C20H11F2N3O — CID 122447498

IUPAC2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole
SMILESFc1ccc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)cc1F
InChIInChI=1S/C20H11F2N3O/c21-13-7-5-11(9-14(13)22)12-6-8-17-18(10-12)26-20(25-17)19-23-15-3-1-2-4-16(15)24-19/h1-10H,(H,23,24)
InChIKeyXVAFKXABWUUBMP-UHFFFAOYSA-N
MW347.32 g/mol
LogP5.32
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole

2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole (PubChem CID 122447498) has the molecular formula C20H11F2N3O and a molecular weight of 347.32 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole
PubChem CID122447498
Molecular FormulaC20H11F2N3O
Molecular Weight347.32 g/mol
Exact Mass347.09
IUPAC Name2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole
SMILESFc1ccc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)cc1F
InChIInChI=1S/C20H11F2N3O/c21-13-7-5-11(9-14(13)22)12-6-8-17-18(10-12)26-20(25-17)19-23-15-3-1-2-4-16(15)24-19/h1-10H,(H,23,24)
InChIKeyXVAFKXABWUUBMP-UHFFFAOYSA-N
XLogP5.32
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.32
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole (CID 122447498) is 2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole is Fc1ccc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)cc1F.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole?
The InChIKey is XVAFKXABWUUBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F2N3O/c21-13-7-5-11(9-14(13)22)12-6-8-17-18(10-12)26-20(25-17)19-23-15-3-1-2-4-16(15)24-19/h1-10H,(H,23,24).
What are the key properties of 2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole?
2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole has a molecular weight of 347.32 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole is sourced from PubChem (CID 122447498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).