2-(1H-benzimidazol-2-yl)-6-[5-(difluoromethoxy)-3-pyridinyl]-1,3-benzoxazole

C20H12F2N4O2 — CID 122447530

IUPAC2-(1H-benzimidazol-2-yl)-6-[5-(difluoromethoxy)-3-pyridinyl]-1,3-benzoxazole
SMILESFC(F)Oc1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1
InChIInChI=1S/C20H12F2N4O2/c21-20(22)27-13-7-12(9-23-10-13)11-5-6-16-17(8-11)28-19(26-16)18-24-14-3-1-2-4-15(14)25-18/h1-10,20H,(H,24,25)
InChIKeyMWTUADXJOUJWFZ-UHFFFAOYSA-N
MW378.34 g/mol
LogP5.03
Rot. Bonds4

About 2-(1H-benzimidazol-2-yl)-6-[5-(difluoromethoxy)-3-pyridinyl]-1,3-benzoxazole

2-(1H-benzimidazol-2-yl)-6-[5-(difluoromethoxy)-3-pyridinyl]-1,3-benzoxazole (PubChem CID 122447530) has the molecular formula C20H12F2N4O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-6-[5-(difluoromethoxy)-3-pyridinyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-6-[5-(difluoromethoxy)-3-pyridinyl]-1,3-benzoxazole
PubChem CID122447530
Molecular FormulaC20H12F2N4O2
Molecular Weight378.34 g/mol
Exact Mass378.09
IUPAC Name2-(1H-benzimidazol-2-yl)-6-[5-(difluoromethoxy)-3-pyridinyl]-1,3-benzoxazole
SMILESFC(F)Oc1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1
InChIInChI=1S/C20H12F2N4O2/c21-20(22)27-13-7-12(9-23-10-13)11-5-6-16-17(8-11)28-19(26-16)18-24-14-3-1-2-4-15(14)25-18/h1-10,20H,(H,24,25)
InChIKeyMWTUADXJOUJWFZ-UHFFFAOYSA-N
XLogP5.03
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 55.03
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-[5-(difluoromethoxy)-3-pyridinyl]-1,3-benzoxazole?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-6-[5-(difluoromethoxy)-3-pyridinyl]-1,3-benzoxazole (CID 122447530) is 2-(1H-benzimidazol-2-yl)-6-[5-(difluoromethoxy)-3-pyridinyl]-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-6-[5-(difluoromethoxy)-3-pyridinyl]-1,3-benzoxazole?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-6-[5-(difluoromethoxy)-3-pyridinyl]-1,3-benzoxazole is FC(F)Oc1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-6-[5-(difluoromethoxy)-3-pyridinyl]-1,3-benzoxazole?
The InChIKey is MWTUADXJOUJWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N4O2/c21-20(22)27-13-7-12(9-23-10-13)11-5-6-16-17(8-11)28-19(26-16)18-24-14-3-1-2-4-15(14)25-18/h1-10,20H,(H,24,25).
What are the key properties of 2-(1H-benzimidazol-2-yl)-6-[5-(difluoromethoxy)-3-pyridinyl]-1,3-benzoxazole?
2-(1H-benzimidazol-2-yl)-6-[5-(difluoromethoxy)-3-pyridinyl]-1,3-benzoxazole has a molecular weight of 378.34 g/mol, XLogP of 5.03, 4 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-[5-(difluoromethoxy)-3-pyridinyl]-1,3-benzoxazole is sourced from PubChem (CID 122447530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).