2-(1H-benzimidazol-2-yl)-6-(2-fluoropyrimidin-5-yl)-1,3-benzoxazole

C18H10FN5O — CID 122447578

IUPAC2-(1H-benzimidazol-2-yl)-6-(2-fluoropyrimidin-5-yl)-1,3-benzoxazole
SMILESFc1ncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)cn1
InChIInChI=1S/C18H10FN5O/c19-18-20-8-11(9-21-18)10-5-6-14-15(7-10)25-17(24-14)16-22-12-3-1-2-4-13(12)23-16/h1-9H,(H,22,23)
InChIKeyBPHIVHXFLIBDCR-UHFFFAOYSA-N
MW331.31 g/mol
LogP3.97
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-6-(2-fluoropyrimidin-5-yl)-1,3-benzoxazole

2-(1H-benzimidazol-2-yl)-6-(2-fluoropyrimidin-5-yl)-1,3-benzoxazole (PubChem CID 122447578) has the molecular formula C18H10FN5O and a molecular weight of 331.31 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-6-(2-fluoropyrimidin-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-6-(2-fluoropyrimidin-5-yl)-1,3-benzoxazole
PubChem CID122447578
Molecular FormulaC18H10FN5O
Molecular Weight331.31 g/mol
Exact Mass331.09
IUPAC Name2-(1H-benzimidazol-2-yl)-6-(2-fluoropyrimidin-5-yl)-1,3-benzoxazole
SMILESFc1ncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)cn1
InChIInChI=1S/C18H10FN5O/c19-18-20-8-11(9-21-18)10-5-6-14-15(7-10)25-17(24-14)16-22-12-3-1-2-4-13(12)23-16/h1-9H,(H,22,23)
InChIKeyBPHIVHXFLIBDCR-UHFFFAOYSA-N
XLogP3.97
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(2-fluoropyrimidin-5-yl)-1,3-benzoxazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-6-(2-fluoropyrimidin-5-yl)-1,3-benzoxazole (CID 122447578) is 2-(1H-benzimidazol-2-yl)-6-(2-fluoropyrimidin-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-6-(2-fluoropyrimidin-5-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-6-(2-fluoropyrimidin-5-yl)-1,3-benzoxazole is Fc1ncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)cn1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-6-(2-fluoropyrimidin-5-yl)-1,3-benzoxazole?
The InChIKey is BPHIVHXFLIBDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10FN5O/c19-18-20-8-11(9-21-18)10-5-6-14-15(7-10)25-17(24-14)16-22-12-3-1-2-4-13(12)23-16/h1-9H,(H,22,23).
What are the key properties of 2-(1H-benzimidazol-2-yl)-6-(2-fluoropyrimidin-5-yl)-1,3-benzoxazole?
2-(1H-benzimidazol-2-yl)-6-(2-fluoropyrimidin-5-yl)-1,3-benzoxazole has a molecular weight of 331.31 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-6-(2-fluoropyrimidin-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 122447578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).